Product OPENEYE NAME: (3R)-5'-[3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxo-piperazin-1-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxo-1-piperazinyl]prop-1-ynyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[3-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxopiperazin-1-yl]prop-1-ynyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[3-[(2R)-2-[3,5-bis(fluoranyl)phenyl]-2,4,5,5-tetramethyl-6-oxidanylidene-piperazin-1-yl]prop-1-ynyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C32H30F2N4O2
MOLECULAR WEIGHT: 540.603006
SMILES: C[C@]1(CN(C(C(=O)N1CC#CC2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)C=C2)(C)C)C)C6=CC(=CC(=C6)F)F
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Product OPENEYE NAME: (3R)-5'-[3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,2'-indane]-2-one
CAS Name: (2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]-2'-spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]one
IUPAC NAME: (2R)-5-[3-[(8R)-8-(3,5-difluorophenyl)-8,10-dimethyl-6-oxo-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
SYSTEMATIC NAME: (2R)-5-[3-[(8R)-8-[3,5-bis(fluoranyl)phenyl]-8,10-dimethyl-6-oxidanylidene-7,10-diazaspiro[4.5]decan-7-yl]prop-1-ynyl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-2'-one
MOLECULAR FORMULA: C34H32F2N4O2
MOLECULAR WEIGHT: 566.640286
SMILES: C[C@]1(CN(C2(CCCC2)C(=O)N1CC#CC3=CC4=C(C[C@@]5(C4)C6=C(NC5=O)N=CC=C6)C=C3)C)C7=CC(=CC(=C7)F)F
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Product OPENEYE NAME: (3S)-3'-[3-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-1-piperidyl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CAS Name: (3S)-3'-[3-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxo-1-piperidinyl]prop-1-ynyl]-2-spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]one
IUPAC NAME: (3S)-3'-[3-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
SYSTEMATIC NAME: (3S)-3'-[3-[(6S)-6-[3,5-bis(fluoranyl)phenyl]-3,3-dimethyl-2-oxidanylidene-piperidin-1-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
MOLECULAR FORMULA: C30H26F2N4O2
MOLECULAR WEIGHT: 512.549846
SMILES: CC1(CC[C@H](N(C1=O)CC#CC2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)C6=CC(=CC(=C6)F)F)C
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Product OPENEYE NAME: (3S)-3'-[3-[(8S)-8-(3,5-difluorophenyl)-10-oxo-9-azaspiro[4.5]decan-9-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CAS Name: (3S)-3'-[3-[(8S)-8-(3,5-difluorophenyl)-10-oxo-9-azaspiro[4.5]decan-9-yl]prop-1-ynyl]-2-spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]one
IUPAC NAME: (3S)-3'-[3-[(8S)-8-(3,5-difluorophenyl)-10-oxo-9-azaspiro[4.5]decan-9-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
SYSTEMATIC NAME: (3S)-3'-[3-[(8S)-8-[3,5-bis(fluoranyl)phenyl]-10-oxidanylidene-9-azaspiro[4.5]decan-9-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
MOLECULAR FORMULA: C32H28F2N4O2
MOLECULAR WEIGHT: 538.587126
SMILES: C1CCC2(C1)CC[C@H](N(C2=O)CC#CC3=CC4=C(C[C@@]5(C4)C6=C(NC5=O)N=CC=C6)N=C3)C7=CC(=CC(=C7)F)F
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Product OPENEYE NAME: (3S)-3'-[3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-piperazin-1-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
CAS Name: (3S)-3'-[3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxo-1-piperazinyl]prop-1-ynyl]-2-spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]one
IUPAC NAME: (3S)-3'-[3-[(2R)-2-(3,5-difluorophenyl)-2,5,5-trimethyl-6-oxopiperazin-1-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
SYSTEMATIC NAME: (3S)-3'-[3-[(2R)-2-[3,5-bis(fluoranyl)phenyl]-2,5,5-trimethyl-6-oxidanylidene-piperazin-1-yl]prop-1-ynyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one
MOLECULAR FORMULA: C30H27F2N5O2
MOLECULAR WEIGHT: 527.564486
SMILES: C[C@]1(CNC(C(=O)N1CC#CC2=CC3=C(C[C@@]4(C3)C5=C(NC4=O)N=CC=C5)N=C2)(C)C)C6=CC(=CC(=C6)F)F
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Product OPENEYE NAME: 3-(2,3-dichloro-3,5-dimethoxy-cyclohexa-1,5-dien-1-yl)-1-[6-[4-(4-ethylpyrazin-1-yl)anilino]pyrimidin-4-yl]-1-methyl-urea
CAS Name: 3-(2,3-dichloro-3,5-dimethoxy-1-cyclohexa-1,5-dienyl)-1-[6-[4-(4-ethyl-1-pyrazinyl)anilino]-4-pyrimidinyl]-1-methylurea
IUPAC NAME: 3-(2,3-dichloro-3,5-dimethoxycyclohexa-1,5-dien-1-yl)-1-[6-[4-(4-ethylpyrazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea
SYSTEMATIC NAME: 3-[2,3-bis(chloranyl)-3,5-dimethoxy-cyclohexa-1,5-dien-1-yl]-1-[6-[[4-(4-ethylpyrazin-1-yl)phenyl]amino]pyrimidin-4-yl]-1-methyl-urea
MOLECULAR FORMULA: C26H29Cl2N7O3
MOLECULAR WEIGHT: 558.45956
SMILES: CCN1C=CN(C=C1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(CC(=C4)OC)(OC)Cl)Cl
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Product OPENEYE NAME: 3,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethyl-ammonium
CAS Name: 3,3-bis[(Z)-1-oxooctadec-9-enoxy]propyl-trimethylammonium
IUPAC NAME: 3,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethylazanium
SYSTEMATIC NAME: 3,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl-trimethyl-azanium
MOLECULAR FORMULA: C42H80NO4+
MOLECULAR WEIGHT: 663.0889
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)OC(OC(=O)CCCCCCC/C=C\CCCCCCCC)CC[N+](C)(C)C
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Product OPENEYE NAME: [[(1R,3R)-3-hydroxy-1-isopropyl-3-[4-(2-phenylethylcarbamoyl)thiazol-2-yl]propyl]-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]methyl 3-methylbutanoate
CAS Name: 3-methylbutanoic acid [[(1R,3R)-1-hydroxy-4-methyl-1-[4-[oxo-(2-phenylethylamino)methyl]-2-thiazolyl]pentan-3-yl]-[(2S,3S)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]-oxomethyl]amino]-1-oxopentyl]amino]methyl ester
IUPAC NAME: [[(1R,3R)-1-hydroxy-4-methyl-1-[4-(2-phenylethylcarbamoyl)-1,3-thiazol-2-yl]pentan-3-yl]-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]methyl 3-methylbutanoate
SYSTEMATIC NAME: [[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]-[(1R,3R)-4-methyl-1-oxidanyl-1-[4-(2-phenylethylcarbamoyl)-1,3-thiazol-2-yl]pentan-3-yl]amino]methyl 3-methylbutanoate
MOLECULAR FORMULA: C37H57N5O6S
MOLECULAR WEIGHT: 699.94338
SMILES: CC[C@H](C)[C@@H](C(=O)N(COC(=O)CC(C)C)[C@H](C[C@H](C1=NC(=CS1)C(=O)NCCC2=CC=CC=C2)O)C(C)C)NC(=O)[C@H]3CCCCN3C
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Product OPENEYE NAME: 4-[[2-[(1R,3R)-1-hydroxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]thiazole-4-carbonyl]amino]butanoic acid
CAS Name: 4-[[[2-[(1R,3R)-1-hydroxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[[(2R)-1-methyl-2-piperidinyl]-oxomethyl]amino]-1-oxopentyl]-[(3-methyl-1-oxobutoxy)methyl]amino]pentyl]-4-thiazolyl]-oxomethyl]amino]butanoic acid
IUPAC NAME: 4-[[2-[(1R,3R)-1-hydroxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]butanoic acid
SYSTEMATIC NAME: 4-[[2-[(1R,3R)-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin-2-yl]carbonylamino]pentanoyl]amino]-1-oxidanyl-pentyl]-1,3-thiazol-4-yl]carbonylamino]butanoic acid
MOLECULAR FORMULA: C33H55N5O8S
MOLECULAR WEIGHT: 681.8835
SMILES: CC[C@H](C)[C@@H](C(=O)N(COC(=O)CC(C)C)[C@H](C[C@H](C1=NC(=CS1)C(=O)NCCCC(=O)O)O)C(C)C)NC(=O)[C@H]2CCCCN2C
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Product OPENEYE NAME: N-[1-(4-pyridylmethyl)-4-piperidyl]-5-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]pyrazine-2-carboxamide
CAS Name: N-[1-(pyridin-4-ylmethyl)-4-piperidinyl]-5-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-2-pyrazinecarboxamide
IUPAC NAME: N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyrazine-2-carboxamide
SYSTEMATIC NAME: N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-pyrazine-2-carboxamide
MOLECULAR FORMULA: C28H31F3N6O2
MOLECULAR WEIGHT: 540.57995
SMILES: C1CN(CCC1NC(=O)C2=CN=C(C=N2)OC3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F)CC5=CC=NC=C5
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Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-5-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]pyrazine-2-carboxamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-5-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-2-pyrazinecarboxamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyrazine-2-carboxamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-pyrazine-2-carboxamide
MOLECULAR FORMULA: C30H31F3N6O2
MOLECULAR WEIGHT: 564.60135
SMILES: C1CN(CCC1NC(=O)C2=CN=C(C=N2)OC3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-2-[[1-[4-(trifluoromethyl)phenyl]-4-piperidyl]oxy]thiazole-5-carboxamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-2-[[1-[4-(trifluoromethyl)phenyl]-4-piperidinyl]oxy]-5-thiazolecarboxamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-2-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C29H30F3N5O2S
MOLECULAR WEIGHT: 569.64101
SMILES: C1CN(CCC1NC(=O)C2=CN=C(S2)OC3CCN(CC3)C4=CC=C(C=C4)C(F)(F)F)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-2-[[1-(4-cyanophenyl)-4-piperidyl]oxy]thiazole-5-carboxamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-2-[[1-(4-cyanophenyl)-4-piperidinyl]oxy]-5-thiazolecarboxamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-2-[1-(4-cyanophenyl)piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C29H30N6O2S
MOLECULAR WEIGHT: 526.6525
SMILES: C1CN(CCC1NC(=O)C2=CN=C(S2)OC3CCN(CC3)C4=CC=C(C=C4)C#N)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: N-[1-[(4-cyanophenyl)methyl]-4-piperidyl]-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidyl]oxy]thiazole-5-carboxamide
CAS Name: N-[1-[(4-cyanophenyl)methyl]-4-piperidinyl]-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]oxy]-5-thiazolecarboxamide
IUPAC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide
SYSTEMATIC NAME: N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-2-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]oxy-1,3-thiazole-5-carboxamide
MOLECULAR FORMULA: C30H32F3N5O2S
MOLECULAR WEIGHT: 583.66759
SMILES: C1CN(CCC1NC(=O)C2=CN=C(S2)OC3CCN(CC3)CC4=CC=C(C=C4)C(F)(F)F)CC5=CC=C(C=C5)C#N
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Product OPENEYE NAME: N-[9-(2-hydroxyethyl)carbazol-3-yl]-2-(trifluoromethyl)benzamide
CAS Name: N-[9-(2-hydroxyethyl)-3-carbazolyl]-2-(trifluoromethyl)benzamide
IUPAC NAME: N-[9-(2-hydroxyethyl)carbazol-3-yl]-2-(trifluoromethyl)benzamide
SYSTEMATIC NAME: N-[9-(2-hydroxyethyl)carbazol-3-yl]-2-(trifluoromethyl)benzamide
MOLECULAR FORMULA: C22H17F3N2O2
MOLECULAR WEIGHT: 398.37779
SMILES: C1=CC=C2C(=C1)C3=C(N2CCO)C=CC(=C3)NC(=O)C4=CC=CC=C4C(F)(F)F
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Product OPENEYE NAME: 8-cyclohexyl-5-(2-methylpiperazin-1-yl)sulfonyl-isoquinoline
CAS Name: 8-cyclohexyl-5-[(2-methyl-1-piperazinyl)sulfonyl]isoquinoline
IUPAC NAME: 8-cyclohexyl-5-(2-methylpiperazin-1-yl)sulfonylisoquinoline
SYSTEMATIC NAME: 8-cyclohexyl-5-(2-methylpiperazin-1-yl)sulfonyl-isoquinoline
MOLECULAR FORMULA: C20H27N3O2S
MOLECULAR WEIGHT: 373.51228
SMILES: CC1CNCCN1S(=O)(=O)C2=C3C=CN=CC3=C(C=C2)C4CCCCC4
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Product OPENEYE NAME: 3-(4-amino-1,3-dithioxo-isoindolin-2-yl)piperidine-2,6-dione
CAS Name: 3-[4-amino-1,3-bis(sulfanylidene)-2-isoindolyl]piperidine-2,6-dione
IUPAC NAME: 3-[4-amino-1,3-bis(sulfanylidene)isoindol-2-yl]piperidine-2,6-dione
SYSTEMATIC NAME: 3-[4-azanyl-1,3-bis(sulfanylidene)isoindol-2-yl]piperidine-2,6-dione
MOLECULAR FORMULA: C13H11N3O2S2
MOLECULAR WEIGHT: 305.37534
SMILES: C1CC(=O)NC(=O)C1N2C(=S)C3=C(C2=S)C(=CC=C3)N
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H14N4O3
MOLECULAR WEIGHT: 274.27526
SMILES: C1CCN2/C(=C/3\C(=CC(=O)C=C3O)C1)/NN=C2C(=O)N
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Product OPENEYE NAME: 3-[(2E)-6-[[4-[[2-[(7S)-8-carboxy-7-(2-methylpyrimidin-5-yl)octyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methylamino]-4-oxo-butyl]-methyl-sulfamoyl]-2-[(2E,4E)-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylid
CAS Name: 3-[(2E)-6-[[4-[[2-[(7S)-8-carboxy-7-(2-methyl-5-pyrimidinyl)octyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methylamino]-4-oxobutyl]-methylsulfamoyl]-2-[(2E,4E)-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfonatopropyl)-2-benzo[e]indol-3-iumyl]penta-2,4-dienyliden
IUPAC NAME: 3-[(2E)-6-[[4-[[2-[(7S)-8-carboxy-7-(2-methylpyrimidin-5-yl)octyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]methylamino]-4-oxobutyl]-methylsulfamoyl]-2-[(2E,4E)-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienyliden
SYSTEMATIC NAME: 3-[(2E)-2-[(2E,4E)-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfonatopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-6-[methyl-[4-[[2-[(7S)-7-(2-methylpyrimidin-5-yl)-9-oxidanyl-9-oxidanylidene-nonyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl]m
MOLECULAR FORMULA: C67H81N8O17S5-
MOLECULAR WEIGHT: 1430.72844
SMILES: CC1=NC=C(C=N1)[C@@H](CCCCCCC2=C(C=C3CCCNC3=N2)CNC(=O)CCCN(C)S(=O)(=O)C4=CC=CC5=C4C=CC6=C5C(/C(=C\C=C\C=C\C7=[N+](C8=C(C7(C)C)C9=CC(=CC(=C9C=C8)S(=O)(=O)O)S(=O)(=O)O)CCCS(=O)(=O)[O-])/N6CCCS(=O)(=O)[O-])(C)C)CC(=O)O
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Product OPENEYE NAME: (3S)-9-[3-[[4-[[(2E)-2-[(2E,4E)-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-6-yl]sulfonyl-methyl-amino]butanoylamino]methyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2
CAS Name: (3S)-9-[3-[[[4-[[(2E)-2-[(2E,4E)-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfopropyl)-2-benzo[e]indol-3-iumyl]penta-2,4-dienylidene]-1,1-dimethyl-3-(3-sulfopropyl)-6-benzo[e]indolyl]sulfonyl-methylamino]-1-oxobutyl]amino]methyl]-5,6,7,8-tetrahydro-1,8-naphthyrid
IUPAC NAME: (3S)-9-[3-[[4-[[(2E)-2-[(2E,4E)-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-6-yl]sulfonyl-methylamino]butanoylamino]methyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2-
SYSTEMATIC NAME: (3S)-9-[3-[[4-[[(2E)-2-[(2E,4E)-5-[1,1-dimethyl-6,8-disulfo-3-(3-sulfopropyl)benzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1,1-dimethyl-3-(3-sulfopropyl)benzo[e]indol-6-yl]sulfonyl-methyl-amino]butanoylamino]methyl]-5,6,7,8-tetrahydro-1,8-naphthyridin-2
MOLECULAR FORMULA: C67H83N8O17S5+
MOLECULAR WEIGHT: 1432.74432
SMILES: CC1=NC=C(C=N1)[C@@H](CCCCCCC2=C(C=C3CCCNC3=N2)CNC(=O)CCCN(C)S(=O)(=O)C4=CC=CC5=C4C=CC6=C5C(/C(=C\C=C\C=C\C7=[N+](C8=C(C7(C)C)C9=CC(=CC(=C9C=C8)S(=O)(=O)O)S(=O)(=O)O)CCCS(=O)(=O)O)/N6CCCS(=O)(=O)O)(C)C)CC(=O)O
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Product OPENEYE NAME: (1S,2R,4aS,6aS,6bR,10S,11R,12aR,14bS)-11-hydroxy-10-[(E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
CAS Name: (1S,2R,4aS,6aS,6bR,10S,11R,12aR,14bS)-11-hydroxy-10-[(E)-3-(3-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enoxy]-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
IUPAC NAME: (1S,2R,4aS,6aS,6bR,10S,11R,12aR,14bS)-11-hydroxy-10-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (1S,2R,4aS,6aS,6bR,10S,11R,12aR,14bS)-10-[(E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoyl]oxy-1,2,6a,6b,9,9,12a-heptamethyl-11-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C40H56O7
MOLECULAR WEIGHT: 648.86844
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(C[C@H]([C@H](C5(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)OC)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O
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Product OPENEYE NAME: 4-[2-(4-carbamimidoylphenyl)iminohydrazino]benzamidine; (Z)-octadec-9-enoic acid
CAS Name: 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide; (Z)-9-octadecenoic acid
IUPAC NAME: 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide; (Z)-octadec-9-enoic acid
SYSTEMATIC NAME: 4-[2-(4-carbamimidoylphenyl)iminohydrazinyl]benzenecarboximidamide; (Z)-octadec-9-enoic acid
MOLECULAR FORMULA: C32H49N7O2
MOLECULAR WEIGHT: 563.77716
SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)O.C1=CC(=CC=C1C(=N)N)NN=NC2=CC=C(C=C2)C(=N)N
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Product OPENEYE NAME: (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-3-(2-hydroxyethoxymethyl)-6,9a-dimethyl-3,3a,4,5,6,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
CAS Name: (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-3-(2-hydroxyethoxymethyl)-6,9a-dimethyl-3,3a,4,5,6,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
IUPAC NAME: (3aS,6S,6aS,9aS,9bR)-6a-hydroxy-3-(2-hydroxyethoxymethyl)-6,9a-dimethyl-3,3a,4,5,6,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
SYSTEMATIC NAME: (3aS,6S,6aS,9aS,9bR)-3-(2-hydroxyethyloxymethyl)-6,9a-dimethyl-6a-oxidanyl-3,3a,4,5,6,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
MOLECULAR FORMULA: C17H24O6
MOLECULAR WEIGHT: 324.36886
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(C=CC3=O)O)C)OC(=O)C2COCCO
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Product OPENEYE NAME: (3aS,6S,6aS,9aS,9bR)-6a,9-dihydroxy-3,6,9a-trimethyl-3a,4,5,6,9,9b-hexahydro-3H-azuleno[4,5-b]furan-2-one
CAS Name: (3aS,6S,6aS,9aS,9bR)-6a,9-dihydroxy-3,6,9a-trimethyl-3a,4,5,6,9,9b-hexahydro-3H-azuleno[4,5-b]furan-2-one
IUPAC NAME: (3aS,6S,6aS,9aS,9bR)-6a,9-dihydroxy-3,6,9a-trimethyl-3a,4,5,6,9,9b-hexahydro-3H-azuleno[4,5-b]furan-2-one
SYSTEMATIC NAME: (3aS,6S,6aS,9aS,9bR)-3,6,9a-trimethyl-6a,9-bis(oxidanyl)-3a,4,5,6,9,9b-hexahydro-3H-azuleno[4,5-b]furan-2-one
MOLECULAR FORMULA: C15H22O4
MOLECULAR WEIGHT: 266.33278
SMILES: C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(C=CC3O)O)C)OC(=O)C2C
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