Thursday, December 1, 2011

All Chemical Compounds Information



Product OPENEYE NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentane-1-sulfonic acid
CAS Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-pentanesulfonic acid
IUPAC NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentane-1-sulfonic acid
SYSTEMATIC NAME: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentane-1-sulfonic acid
MOLECULAR FORMULA: C24H42O6S
MOLECULAR WEIGHT: 458.65168
SMILES: C[C@H](CCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
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Product OPENEYE NAME: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
CAS Name: 2-[[(4R)-1-oxo-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]ethanesulfonic acid
IUPAC NAME: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
SYSTEMATIC NAME: 2-[[(4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
MOLECULAR FORMULA: C27H47NO4S
MOLECULAR WEIGHT: 481.73138
SMILES: C[C@H]1C[C@@H]2CCCC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCC(=O)NCCS(=O)(=O)O)C
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Product OPENEYE NAME: [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
CAS Name: [(2R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
IUPAC NAME: [(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
SYSTEMATIC NAME: [(2R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,5-dihydrofuran-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid
MOLECULAR FORMULA: C9H13N2O13P3
MOLECULAR WEIGHT: 450.126403
SMILES: C1=C[C@H](O[C@H]1N2C=CC(=O)NC2=O)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O
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Product OPENEYE NAME: [hydroxy(phosphonooxy)phosphoryl]oxy-[[(2R,5R)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethyl]phosphinic acid
CAS Name: [hydroxy(phosphonooxy)phosphoryl]oxy-[[(2R,5R)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]oxymethyl]phosphinic acid
IUPAC NAME: [hydroxy(phosphonooxy)phosphoryl]oxy-[[(2R,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]oxymethyl]phosphinic acid
SYSTEMATIC NAME: [(2R,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-2,5-dihydrofuran-2-yl]oxymethyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphinic acid
MOLECULAR FORMULA: C10H15N2O13P3
MOLECULAR WEIGHT: 464.152983
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)OCP(=O)(O)OP(=O)(O)OP(=O)(O)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H28O4
MOLECULAR WEIGHT: 344.44462
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)CO)CC4C5=CC(=O)CC[C@]35CO4
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Product OPENEYE NAME: (2R)-N-[1-benzyl-2-oxo-2-(2-phenylethylamino)ethyl]-2-[[3-benzylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-5-guanidino-pentanamide
CAS Name: (2R)-5-(diaminomethylideneamino)-2-[[1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]-3-(phenylmethylthio)propyl]amino]-N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]pentanamide
IUPAC NAME: (2R)-2-[[3-benzylsulfanyl-2-[[2-(4-phenylphenyl)acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)-N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]pentanamide
SYSTEMATIC NAME: (2R)-5-[bis(azanyl)methylideneamino]-N-[1-oxidanylidene-3-phenyl-1-(2-phenylethylamino)propan-2-yl]-2-[[3-(phenylmethylsulfanyl)-2-[2-(4-phenylphenyl)ethanoylamino]propanoyl]amino]pentanamide
MOLECULAR FORMULA: C47H53N7O4S
MOLECULAR WEIGHT: 812.03322
SMILES: C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(CSCC3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C5=CC=CC=C5
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Product OPENEYE NAME: [(2S,4R)-4-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]oxymethylphosphonic acid
CAS Name: [(2S,4R)-4-(6-aminopurin-9-yl)-2-oxolanyl]oxymethylphosphonic acid
IUPAC NAME: [(2S,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]oxymethylphosphonic acid
SYSTEMATIC NAME: [(2S,4R)-4-(6-aminopurin-9-yl)oxolan-2-yl]oxymethylphosphonic acid
MOLECULAR FORMULA: C10H14N5O5P
MOLECULAR WEIGHT: 315.222421
SMILES: C1[C@H](CO[C@H]1OCP(=O)(O)O)N2C=NC3=C2N=CN=C3N
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Product OPENEYE NAME: (2R)-N-[1-benzyl-2-oxo-2-(2-phenylethylamino)ethyl]-5-guanidino-2-[[2-[[2-(4-phenylphenyl)acetyl]amino]-3-sulfanyl-propanoyl]amino]pentanamide
CAS Name: (2R)-5-(diaminomethylideneamino)-2-[[3-mercapto-1-oxo-2-[[1-oxo-2-(4-phenylphenyl)ethyl]amino]propyl]amino]-N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]pentanamide
IUPAC NAME: (2R)-5-(diaminomethylideneamino)-N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]-2-[[2-[[2-(4-phenylphenyl)acetyl]amino]-3-sulfanylpropanoyl]amino]pentanamide
SYSTEMATIC NAME: (2R)-5-[bis(azanyl)methylideneamino]-N-[1-oxidanylidene-3-phenyl-1-(2-phenylethylamino)propan-2-yl]-2-[[2-[2-(4-phenylphenyl)ethanoylamino]-3-sulfanyl-propanoyl]amino]pentanamide
MOLECULAR FORMULA: C40H47N7O4S
MOLECULAR WEIGHT: 721.91068
SMILES: C1=CC=C(C=C1)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)C(CS)NC(=O)CC3=CC=C(C=C3)C4=CC=CC=C4
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Product OPENEYE NAME: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
CAS Name: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
IUPAC NAME: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
SYSTEMATIC NAME: (4R)-4-[(5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-7-propyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
MOLECULAR FORMULA: C27H46O2
MOLECULAR WEIGHT: 402.65294
SMILES: CCC[C@H]1C[C@@H]2CCCC[C@@]2([C@@H]3[C@@H]1[C@@H]4CC[C@@H]([C@]4(CC3)C)[C@H](C)CCC(=O)O)C
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