Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C67H88N20O13S3
MOLECULAR WEIGHT: 1477.73682
SMILES: CC(C)C(C(=O)NC1=CC2=C(C=C1)N=C(S2)C#N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CSSC(C)(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCNC(=O)NC3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)OC4=O)NC(=O)C(CCCNC(=N)N)NC(=O)C
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Product OPENEYE NAME: 2-[[2-acetamido-3-(ethyldisulfanyl)propanoyl]amino]-N-(2-cyano-1,3-benzothiazol-6-yl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide
CAS Name: 2-[[2-acetamido-3-(ethyldisulfanyl)-1-oxopropyl]amino]-N-(2-cyano-1,3-benzothiazol-6-yl)-6-[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]hexanamide
IUPAC NAME: 2-[[2-acetamido-3-(ethyldisulfanyl)propanoyl]amino]-N-(2-cyano-1,3-benzothiazol-6-yl)-6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide
SYSTEMATIC NAME: 2-[[2-acetamido-3-(ethyldisulfanyl)propanoyl]amino]-N-(2-cyano-1,3-benzothiazol-6-yl)-6-[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanamide
MOLECULAR FORMULA: C31H42N8O5S4
MOLECULAR WEIGHT: 734.97578
SMILES: CCSSCC(C(=O)NC(CCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C(=O)NC3=CC4=C(C=C3)N=C(S4)C#N)NC(=O)C
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Product OPENEYE NAME: (6R,7S,8R,8aR)-3-amino-6,7,8-trihydroxy-2,3,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-5-one
CAS Name: (6R,7S,8R,8aR)-3-amino-6,7,8-trihydroxy-2,3,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-5-one
IUPAC NAME: (6R,7S,8R,8aR)-3-amino-6,7,8-trihydroxy-2,3,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-5-one
SYSTEMATIC NAME: (6R,7S,8R,8aR)-3-azanyl-6,7,8-tris(oxidanyl)-2,3,6,7,8,8a-hexahydro-1H-imidazo[1,5-a]pyridin-5-one
MOLECULAR FORMULA: C7H13N3O4
MOLECULAR WEIGHT: 203.19582
SMILES: C1[C@@H]2[C@H]([C@@H]([C@H](C(=O)N2C(N1)N)O)O)O
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Product OPENEYE NAME: (2R,4S,5R,6R)-2,4-dihydroxy-5-(methoxycarbonylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydropyran-2-carboxylic acid
CAS Name: (2R,4S,5R,6R)-2,4-dihydroxy-5-(methoxycarbonylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxanecarboxylic acid
IUPAC NAME: (2R,4S,5R,6R)-2,4-dihydroxy-5-(methoxycarbonylamino)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
SYSTEMATIC NAME: (2R,4S,5R,6R)-5-(methoxycarbonylamino)-2,4-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C11H19NO10
MOLECULAR WEIGHT: 325.26926
SMILES: COC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
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Product OPENEYE NAME: (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methylbenzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid
CAS Name: (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]-1-cyclohex-2-enecarboxylic acid
IUPAC NAME: (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid
SYSTEMATIC NAME: (1R,4S,5R)-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]-1,4,5-tris(oxidanyl)cyclohex-2-ene-1-carboxylic acid
MOLECULAR FORMULA: C17H18O6S
MOLECULAR WEIGHT: 350.38622
SMILES: CC1=CC2=C(C=C1)SC(=C2)COC3=C[C@](C[C@H]([C@@H]3O)O)(C(=O)O)O
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Product OPENEYE NAME: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CAS Name: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]-1-oxohexyl]amino]hexanoic acid
IUPAC NAME: (2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C30H60N10O8S
MOLECULAR WEIGHT: 720.9246
SMILES: C(CCN)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CS)N
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Product OPENEYE NAME: [(2R)-2-hexadecanoyloxy-3-sulfanyl-propyl] hexadecanoate
CAS Name: hexadecanoic acid [(2R)-3-mercapto-2-(1-oxohexadecoxy)propyl] ester
IUPAC NAME: [(2R)-2-hexadecanoyloxy-3-sulfanylpropyl] hexadecanoate
SYSTEMATIC NAME: [(2R)-2-hexadecanoyloxy-3-sulfanyl-propyl] hexadecanoate
MOLECULAR FORMULA: C35H68O4S
MOLECULAR WEIGHT: 584.97702
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](CS)OC(=O)CCCCCCCCCCCCCCC
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Product OPENEYE NAME: [(1S)-1-[[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3-acetamido-5-amino-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-2-heptanoyloxy-ethyl] pentadecanoate
CAS Name: pentadecanoic acid [(2S)-1-[[(2S,3R,4S,5R,6R)-4-[[(2S,3R,4S,5R,6R)-3-acetamido-5-amino-4-hydroxy-6-methyl-2-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-(1-oxoheptoxy)propan-2-yl] ester
IUPAC NAME: [(2S)-1-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3-acetamido-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-heptanoyloxypropan-2-yl] pentadecanoate
SYSTEMATIC NAME: [(2S)-1-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3-acetamido-5-azanyl-6-methyl-4-oxidanyl-oxan-2-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-heptanoyloxy-propan-2-yl] pentadecanoate
MOLECULAR FORMULA: C39H72N2O13
MOLECULAR WEIGHT: 776.99458
SMILES: CCCCCCCCCCCCCCC(=O)O[C@@H](CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)N)O)NC(=O)C)O)COC(=O)CCCCCC
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Product OPENEYE NAME: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-[hydroxy-[(2R)-2-octanoyloxy-3-undecanoyloxy-propoxy]phosphoryl]oxyethylamino]-2-oxo-ethyl]amino]ethyl]amino]acetic acid
CAS Name: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-[hydroxy-[(2R)-2-(1-oxooctoxy)-3-(1-oxoundecoxy)propoxy]phosphoryl]oxyethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
IUPAC NAME: 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxymethyl-[2-[2-[hydroxy-[(2R)-2-octanoyloxy-3-undecanoyloxypropoxy]phosphoryl]oxyethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
SYSTEMATIC NAME: 2-[2-[bis(2-hydroxy-2-oxoethyl)amino]ethyl-[2-[2-hydroxy-2-oxoethyl-[2-[2-[[(2R)-2-octanoyloxy-3-undecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxyethylamino]-2-oxidanylidene-ethyl]amino]ethyl]amino]ethanoic acid
MOLECULAR FORMULA: C38H69N4O17P
MOLECULAR WEIGHT: 884.944821
SMILES: CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)OC(=O)CCCCCCC
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl
CAS Name: (2S)-2-[[(2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethy
IUPAC NAME: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpen
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-me
MOLECULAR FORMULA: C48H65N11O12
MOLECULAR WEIGHT: 988.0962
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CO)N
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Product OPENEYE NAME: [(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E)-11-[3-[(E)-2-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]vinyl]-2-oxo-3H-furan-5-yl]-3,10-dimethyl-undeca-3,5,7,9-tetraenylidene]-3,5,5-trimethyl-cyclohexyl] acetate
CAS Name: acetic acid [(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E)-11-[3-[(E)-2-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]ethenyl]-2-oxo-3H-furan-5-yl]-3,10-dimethylundeca-3,5,7,9-tetraenylidene]-3,5,5-trimethylcyclohexyl] ester
IUPAC NAME: [(1S,3R)-3-hydroxy-4-[(3E,5E,7E,9E)-11-[3-[(E)-2-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]ethenyl]-2-oxo-3H-furan-5-yl]-3,10-dimethylundeca-3,5,7,9-tetraenylidene]-3,5,5-trimethylcyclohexyl] acetate
SYSTEMATIC NAME: [(1S,5R)-4-[(3E,5E,7E,9E)-3,10-dimethyl-11-[2-oxidanylidene-3-[(E)-2-[(1R,3S,6S)-1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl]ethenyl]-3H-furan-5-yl]undeca-3,5,7,9-tetraenylidene]-3,3,5-trimethyl-5-oxidanyl-cyclohexyl] ethanoate
MOLECULAR FORMULA: C39H54O7
MOLECULAR WEIGHT: 634.84186
SMILES: C/C(=C\C=C\C=C\C=C(/C)\CC1=CC(C(=O)O1)/C=C/[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C)/CC=C4[C@](C[C@H](CC4(C)C)OC(=O)C)(C)O
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Product OPENEYE NAME: [(2S)-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-propyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14
CAS Name: (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoic acid [(2S)-2-[(3Z,6Z,9Z,12Z,15Z)-1-oxooctadeca-3,6,9,12,15-pentaenoxy]-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]propyl
IUPAC NAME: [(2S)-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
SYSTEMATIC NAME: [(2S)-3-[(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-propyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoat
MOLECULAR FORMULA: C53H80O15
MOLECULAR WEIGHT: 957.1933
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
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Product OPENEYE NAME: [(2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-propyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-p
CAS Name: (5Z,8Z,11Z,14Z,17Z)-eicosa-5,8,11,14,17-pentaenoic acid [(2S)-2-[(6Z,9Z,12Z,15Z)-1-oxooctadeca-6,9,12,15-tetraenoxy]-3-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxymethyl]-2-oxanyl]oxy]propyl] est
IUPAC NAME: [(2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
SYSTEMATIC NAME: [(2S)-3-[(2R,3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
MOLECULAR FORMULA: C53H82O15
MOLECULAR WEIGHT: 959.20918
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)O)COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
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Product OPENEYE NAME: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethyl-2,3-dihydrobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(3R,4Z,7S,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15
CAS Name: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethyl-2,3-dihydrobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2R)-1-[[1-oxo-3-[(3R,4Z,7S,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octame
IUPAC NAME: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethyl-2,3-dihydrobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(3R,4Z,7S,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-6,
SYSTEMATIC NAME: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethyl-2,3-dihydrobenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2R)-1-[3-[(3R,4Z,7S,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8
MOLECULAR FORMULA: C62H90CoN13O14P-4
MOLECULAR WEIGHT: 1331.363661
SMILES: CC1=CC2=C(C=C1C)N(CN2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]\4(C(=C5[C@]6([C@@](C(=C([N-]6)/C(=C\7/[C@@]([C@@H](C([N-]7)/C=C\8/C([C@@H](C([N-]8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C
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Product OPENEYE NAME: [(2R,3S,4R,5S)-5-(5,6-dimethyl-2,3-dihydrobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(3R,4Z,7S,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-o
CAS Name: [(2R,3S,4R,5S)-5-(5,6-dimethyl-2,3-dihydrobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2R)-1-[[1-oxo-3-[(3R,4Z,7S,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-6,7
IUPAC NAME: [(2R,3S,4R,5S)-5-(5,6-dimethyl-2,3-dihydrobenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(3R,4Z,7S,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-6,7,11,12,
SYSTEMATIC NAME: [(2R,3S,4R,5S)-5-(5,6-dimethyl-2,3-dihydrobenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2R)-1-[3-[(3R,4Z,7S,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,1
MOLECULAR FORMULA: C62H94N13O14P
MOLECULAR WEIGHT: 1276.462221
SMILES: CC1=CC2=C(C=C1C)N(CN2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]\4(C(=C5[C@]6([C@@](C(=C(N6)/C(=C\7/[C@@]([C@@H](C(N7)/C=C\8/C([C@@H](C(N8)/C(=C4\N5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
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Product OPENEYE NAME: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(3R,4Z,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octameth
CAS Name: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2R)-1-[[1-oxo-3-[(3R,4Z,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-11,12-dihy
IUPAC NAME: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(3R,4Z,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-11,12-dihydrocorr
SYSTEMATIC NAME: cobalt; [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2R)-1-[3-[(3R,4Z,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-oc
MOLECULAR FORMULA: C62H86CoN13O14P-4
MOLECULAR WEIGHT: 1327.331901
SMILES: CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]\4(C(=C5[C@]6([C@@](C(=C([N-]6)/C(=C\7/[C@@]([C@@H](C([N-]7)/C=C\8/C(C(=C([N-]8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.
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Product OPENEYE NAME: [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(3R,4Z,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-11,12
CAS Name: [(2R,3S,4R,5S)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2R)-1-[[1-oxo-3-[(3R,4Z,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-11,12,21,22,23,24-
IUPAC NAME: [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(3R,4Z,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-11,12,21,22,23,24-hexahyd
SYSTEMATIC NAME: [(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2R)-1-[3-[(3R,4Z,9Z,12S,13S,14Z,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl
MOLECULAR FORMULA: C62H90N13O14P
MOLECULAR WEIGHT: 1272.430461
SMILES: CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]\4(C(=C5[C@]6([C@@](C(=C(N6)/C(=C\7/[C@@]([C@@H](C(N7)/C=C\8/C(C(=C(N8)/C(=C4\N5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
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Product OPENEYE NAME: (2S)-2-[[(1S)-1-carboxybut-3-enyl]carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid
CAS Name: (2S)-2-[[[[(1S)-1-carboxybut-3-enyl]amino]-oxomethyl]amino]-6-[[(4-iodophenyl)-oxomethyl]amino]hexanoic acid
IUPAC NAME: (2S)-2-[[(1S)-1-carboxybut-3-enyl]carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-[(4-iodophenyl)carbonylamino]-2-[[(2S)-1-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamoylamino]hexanoic acid
MOLECULAR FORMULA: C19H24IN3O6
MOLECULAR WEIGHT: 517.31483
SMILES: C=CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCCCNC(=O)C1=CC=C(C=C1)I)C(=O)O
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