Product OPENEYE NAME: N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxo-N-(2-piperazin-1-ylethyl)acetamide
CAS Name: N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxo-N-[2-(1-piperazinyl)ethyl]acetamide
IUPAC NAME: N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxo-N-(2-piperazin-1-ylethyl)acetamide
SYSTEMATIC NAME: N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-2-oxidanylidene-N-(2-piperazin-1-ylethyl)ethanamide
MOLECULAR FORMULA: C23H32N4O2
MOLECULAR WEIGHT: 396.52578
SMILES: C1CCC(CC1)CN(CCN2CCNCC2)C(=O)C(=O)C3=CNC4=CC=CC=C43
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Product OPENEYE NAME: tert-butyl N-[4-[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]butyl]carbamate
CAS Name: N-[4-[cyclohexylmethyl-[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]butyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[4-[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]butyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[4-[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]butyl]carbamate
MOLECULAR FORMULA: C26H37N3O4
MOLECULAR WEIGHT: 455.58968
SMILES: CC(C)(C)OC(=O)NCCCCN(CC1CCCCC1)C(=O)C(=O)C2=CNC3=CC=CC=C32
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Product OPENEYE NAME: [[2-(1H-indol-3-yl)-2-oxo-acetyl]-methyl-amino] acetate
CAS Name: acetic acid [[2-(1H-indol-3-yl)-1,2-dioxoethyl]-methylamino] ester
IUPAC NAME: [[2-(1H-indol-3-yl)-2-oxoacetyl]-methylamino] acetate
SYSTEMATIC NAME: [[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]-methyl-amino] ethanoate
MOLECULAR FORMULA: C13H12N2O4
MOLECULAR WEIGHT: 260.24538
SMILES: CC(=O)ON(C)C(=O)C(=O)C1=CNC2=CC=CC=C21
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Product OPENEYE NAME: tert-butyl N-[[3-[[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]methyl]phenyl]methyl]carbamate
CAS Name: N-[[3-[[cyclohexylmethyl-[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]methyl]phenyl]methyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[[3-[[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]methyl]phenyl]methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[[3-[[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]methyl]phenyl]methyl]carbamate
MOLECULAR FORMULA: C30H37N3O4
MOLECULAR WEIGHT: 503.63248
SMILES: CC(C)(C)OC(=O)NCC1=CC(=CC=C1)CN(CC2CCCCC2)C(=O)C(=O)C3=CNC4=CC=CC=C43
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Product OPENEYE NAME: (2S)-5-amino-2-[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]pentanoic acid
CAS Name: (2S)-5-amino-2-[cyclohexylmethyl-[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]pentanoic acid
IUPAC NAME: (2S)-5-amino-2-[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]pentanoic acid
SYSTEMATIC NAME: (2S)-5-azanyl-2-[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]pentanoic acid
MOLECULAR FORMULA: C22H29N3O4
MOLECULAR WEIGHT: 399.48336
SMILES: C1CCC(CC1)CN([C@@H](CCCN)C(=O)O)C(=O)C(=O)C2=CNC3=CC=CC=C32
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Product OPENEYE NAME: (2S)-6-amino-2-[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxo-acetyl]amino]hexanoic acid
CAS Name: (2S)-6-amino-2-[cyclohexylmethyl-[2-(1H-indol-3-yl)-1,2-dioxoethyl]amino]hexanoic acid
IUPAC NAME: (2S)-6-amino-2-[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxoacetyl]amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-azanyl-2-[cyclohexylmethyl-[2-(1H-indol-3-yl)-2-oxidanylidene-ethanoyl]amino]hexanoic acid
MOLECULAR FORMULA: C23H31N3O4
MOLECULAR WEIGHT: 413.50994
SMILES: C1CCC(CC1)CN([C@@H](CCCCN)C(=O)O)C(=O)C(=O)C2=CNC3=CC=CC=C32
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Product OPENEYE NAME: 2-[[4-[2-[[2-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]amino]butanoylamino]-5-amino-5-oxo-pentanoyl]amino]-6-(octadecanoylamino)hexanoic acid
CAS Name: 2-[[4-[[2-[[2-[[3-acetamido-5-[[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxoethyl]amino]-1-oxobutyl]amino]-5-amino-1,5-dioxopentyl]amino]-6-(1-oxooctadecylamino)hexanoic acid
IUPAC NAME: 2-[[4-[2-[[2-[3-acetamido-5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetyl]amino]butanoylamino]-5-amino-5-oxopentanoyl]amino]-6-(octadecanoylamino)hexanoic acid
SYSTEMATIC NAME: 2-[[4-[2-[2-[5-acetamido-3-[3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxyethanoylamino]butanoylamino]-5-azanyl-5-oxidanylidene-pentanoyl]amino]-6-(octadecanoylamino)hexanoic acid
MOLECULAR FORMULA: C51H91N7O18
MOLECULAR WEIGHT: 1090.30434
SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(CC)NC(=O)COC1C(C(OC(C1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CO)O)NC(=O)C
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Product OPENEYE NAME: 4-[2-[[2-[3-acetamido-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(2-tetradecylhexadecanoylamino)tetrahydropyran-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]amino]butanoylamino]-5-amino-5-oxo-pentanoic acid
CAS Name: 4-[[2-[[2-[[3-acetamido-5-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[(1-oxo-2-tetradecylhexadecyl)amino]-2-oxanyl]oxy]-2-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxoethyl]amino]-1-oxobutyl]amino]-5-amino-5-oxopentanoic acid
IUPAC NAME: 4-[2-[[2-[3-acetamido-5-[4,5-dihydroxy-6-(hydroxymethyl)-3-(2-tetradecylhexadecanoylamino)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxyacetyl]amino]butanoylamino]-5-amino-5-oxopentanoic acid
SYSTEMATIC NAME: 4-[2-[2-[5-acetamido-2-(hydroxymethyl)-3-[6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-tetradecylhexadecanoylamino)oxan-2-yl]oxy-6-oxidanyl-oxan-4-yl]oxyethanoylamino]butanoylamino]-5-azanyl-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C55H101N5O16
MOLECULAR WEIGHT: 1088.41434
SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NC1C(C(C(OC1OC2C(OC(C(C2OCC(=O)NC(CC)C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C)O)CO)CO)O)O
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Product OPENEYE NAME: sodium [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
CAS Name: sodium [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
IUPAC NAME: sodium [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
SYSTEMATIC NAME: sodium [(3S,10R,13S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate
MOLECULAR FORMULA: C19H27NaO5S
MOLECULAR WEIGHT: 390.46945
SMILES: C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)[O-])C.[Na+]
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Product OPENEYE NAME: magnesium [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
CAS Name: magnesium sulfuric acid [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
IUPAC NAME: magnesium [(3S,10R,13S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
SYSTEMATIC NAME: magnesium [(3S,10R,13S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
MOLECULAR FORMULA: C19H28MgO5S+2
MOLECULAR WEIGHT: 392.79262
SMILES: C[C@]12CCC3C(C1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C.[Mg+2]
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Product OPENEYE NAME: 1-cyclopropyl-6-fluoro-7-[(3R)-3-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-8-methoxy-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-6-fluoro-7-[(3R)-3-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-8-methoxy-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-cyclopropyl-6-fluoro-7-[(3R)-3-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-7-[(3R)-3-(hydroxymethyl)-2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C23H24FN3O5
MOLECULAR WEIGHT: 441.452163
SMILES: CN1CC2=CC(=CN2C[C@@H]1CO)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F
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Product OPENEYE NAME: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[(1S)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C22H22FN3O4
MOLECULAR WEIGHT: 411.426183
SMILES: C[C@H]1C2=CC(=CN2CCN1)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F
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Product OPENEYE NAME: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(1R)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-quinoline-3-carboxylic acid
CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(1R)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxo-3-quinolinecarboxylic acid
IUPAC NAME: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(1R)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[(1R)-1-methyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-7-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C22H22FN3O4
MOLECULAR WEIGHT: 411.426183
SMILES: C[C@@H]1C2=CC(=CN2CCN1)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F
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