Thursday, December 1, 2011

All Chemical Compounds Information



Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H26O10
MOLECULAR WEIGHT: 450.43584
SMILES: CC(=C)C(=O)O[C@@H]1C[C@H](C(=O)CC[C@]2([C@@H](O2)[C@H]3C1=C(C(=O)O3)COC(=O)C)C)OC(=O)C
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenyl-propanoyl]amino]-6-[(4-fluorobenzoyl)amino]hexanoic acid
CAS Name: (2S)-2-[[(2S)-2-[[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-6-[[(4-fluorophenyl)-oxomethyl]amino]hexanoic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-6-[(4-fluorobenzoyl)amino]hexanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-phenyl-propanoyl]amino]-6-[(4-fluorophenyl)carbonylamino]hexanoic acid
MOLECULAR FORMULA: C43H48FN5O7
MOLECULAR WEIGHT: 765.868923
SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCNC(=O)C5=CC=C(C=C5)F)C(=O)O)N)C)O
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Product OPENEYE NAME: (2S)-6-[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-2-[(4-fluorobenzoyl)amino]hexanoic acid
CAS Name: (2S)-6-[[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-2-[[(4-fluorophenyl)-oxomethyl]amino]hexanoic acid
IUPAC NAME: (2S)-6-[[(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-2-[(4-fluorobenzoyl)amino]hexanoic acid
SYSTEMATIC NAME: (2S)-6-[[(3R)-2-[(2S)-2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-2-[(4-fluorophenyl)carbonylamino]hexanoic acid
MOLECULAR FORMULA: C34H39FN4O6
MOLECULAR WEIGHT: 618.695063
SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)NCCCC[C@@H](C(=O)O)NC(=O)C4=CC=C(C=C4)F)N)C)O
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Product OPENEYE NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl phosphate
CAS Name: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl phosphate
IUPAC NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl phosphate
SYSTEMATIC NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl phosphate
MOLECULAR FORMULA: C32H54NO4P
MOLECULAR WEIGHT: 547.749221
SMILES: C[N+]1(C2CCC1CC(=CCOP(=O)([O-])OCCCCCCCCCCC=C3C4CC5CC(C4)CC3C5)C2)C
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Product OPENEYE NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl hydrogen phosphate
CAS Name: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl hydrogen phosphate
IUPAC NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl hydrogen phosphate
SYSTEMATIC NAME: 11-(2-adamantylidene)undecyl 2-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ylidene)ethyl hydrogen phosphate
MOLECULAR FORMULA: C32H55NO4P+
MOLECULAR WEIGHT: 548.757161
SMILES: C[N+]1(C2CCC1CC(=CCOP(=O)(O)OCCCCCCCCCCC=C3C4CC5CC(C4)CC3C5)C2)C
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Product OPENEYE NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyl-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
CAS Name: (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyl-2-(3-furanyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f][2]benzopyran-7-carboxylic acid methyl ester
IUPAC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-benzoyl-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
SYSTEMATIC NAME: methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-bis(oxidanylidene)-9-(phenylcarbonyl)-2,4a,5,6,7,8,9,10a-octahydro-1H-benzo[f]isochromene-7-carboxylate
MOLECULAR FORMULA: C28H30O7
MOLECULAR WEIGHT: 478.5336
SMILES: C[C@@]12CC[C@H]3C(=O)O[C@@H](C[C@@]3([C@H]1C(=O)[C@H](C[C@H]2C(=O)OC)C(=O)C4=CC=CC=C4)C)C5=COC=C5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H28N2O3
MOLECULAR WEIGHT: 427.523554
SMILES: [11CH3]N1C2=CC=CC=C2C3=C1[C@H]4C56CCN([C@@H]([C@@]5(C3)O)CC7=C6C(=C(C=C7)O)O4)CC8CC8
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Product OPENEYE NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-amino-3-(2,4-dihydroxy-6-methyl-phenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenyl-propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid
CAS Name: (2S)-2-[[(2S)-2-[[[(3R)-2-[(2S)-2-amino-3-(2,4-dihydroxy-6-methylphenyl)-1-oxopropyl]-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
IUPAC NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-amino-3-(2,4-dihydroxy-6-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-2-[[(3R)-2-[(2S)-2-azanyl-3-[2-methyl-4,6-bis(oxidanyl)phenyl]propanoyl]-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid
MOLECULAR FORMULA: C43H49N5O9
MOLECULAR WEIGHT: 779.87726
SMILES: CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@@H]2C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCNC(=O)OCC5=CC=CC=C5)C(=O)O)N)O)O
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-oxo-1-piperidyl)methylene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-oxo-1-piperidinyl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-6-[(4-oxopiperidin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-6-[(4-oxidanylidenepiperidin-1-yl)methylidene]-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C28H35NO9
MOLECULAR WEIGHT: 529.5788
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCC(=O)CC5)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-(morpholinomethylene)-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-(4-morpholinylmethylidene)-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-(morpholin-4-ylmethylidene)-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-(morpholin-4-ylmethylidene)-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C27H35NO9
MOLECULAR WEIGHT: 517.5681
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N5CCOCC5)/C4=C(C3=O)O)COC)C)C
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