Sunday, November 27, 2011

All Chemical Compounds Information




Product OPENEYE NAME: (3S)-N-[(1S,2R)-2-[(2R,4R)-4-benzyloxypyrrolidin-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-hydroxy-ethyl]-5-oxo-1-(thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CAS Name: (3S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxy-2-pyrrolidinyl]propan-2-yl]-5-oxo-1-(2-thiazolylmethyl)-3-pyrrolidinecarboxamide
IUPAC NAME: (3S)-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxo-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S)-N-[(1R,2S)-3-[3,5-bis(fluoranyl)phenyl]-1-oxidanyl-1-[(2R,4R)-4-phenylmethoxypyrrolidin-2-yl]propan-2-yl]-5-oxidanylidene-1-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C29H32F2N4O4S
MOLECULAR WEIGHT: 570.650586
SMILES: C1[C@H](CN[C@H]1[C@H]([C@H](CC2=CC(=CC(=C2)F)F)NC(=O)[C@H]3CC(=O)N(C3)CC4=NC=CS4)O)OCC5=CC=CC=C5
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Product OPENEYE NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-N-acetyl-piperazine-1-carboxamide
CAS Name: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-N-acetyl-1-piperazinecarboxamide
IUPAC NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N-acetylpiperazine-1-carboxamide
SYSTEMATIC NAME: 4-[4-[(5S)-5-(acetamidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]-N-ethanoyl-piperazine-1-carboxamide
MOLECULAR FORMULA: C19H24FN5O5
MOLECULAR WEIGHT: 421.422763
SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)NC(=O)C)F
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Product OPENEYE NAME: 2-benzyl-6-[(E)-3-oxo-3-phenyl-prop-1-enyl]pyridazin-3-one
CAS Name: 6-[(E)-3-oxo-3-phenylprop-1-enyl]-2-(phenylmethyl)-3-pyridazinone
IUPAC NAME: 2-benzyl-6-[(E)-3-oxo-3-phenylprop-1-enyl]pyridazin-3-one
SYSTEMATIC NAME: 6-[(E)-3-oxidanylidene-3-phenyl-prop-1-enyl]-2-(phenylmethyl)pyridazin-3-one
MOLECULAR FORMULA: C20H16N2O2
MOLECULAR WEIGHT: 316.35324
SMILES: C1=CC=C(C=C1)CN2C(=O)C=CC(=N2)/C=C/C(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(4-fluorophenyl)methyl]-4-hydroxy-5,7-dimethyl-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CAS Name: N-[(4-fluorophenyl)methyl]-4-hydroxy-5,7-dimethyl-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
IUPAC NAME: N-[(4-fluorophenyl)methyl]-4-hydroxy-5,7-dimethyl-3-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)methyl]-5,7-dimethyl-4-oxidanyl-3-oxidanylidene-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
MOLECULAR FORMULA: C16H17FN4O3
MOLECULAR WEIGHT: 332.329583
SMILES: CC1CN(C(=C2N1N=C(C2=O)C(=O)NCC3=CC=C(C=C3)F)O)C
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Product OPENEYE NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S,2S)-1-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-4-thiazolidinecarboxamid
IUPAC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2S,3S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2S,3S)-1-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]-5,5-dimethyl-1,3-th
MOLECULAR FORMULA: C39H63N7O8S
MOLECULAR WEIGHT: 790.02462
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C(=O)N2CSC([C@@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N)(C)C)O)NC(=O)C
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Product OPENEYE NAME: N-[(1R)-1-[4-(3,5-dichloro-2-ethoxy-phenyl)-2-fluoro-phenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarboxamide
CAS Name: N-[(1R)-1-[4-(3,5-dichloro-2-ethoxyphenyl)-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoro-1-oxoethyl)amino]-1-cyclopropanecarboxamide
IUPAC NAME: N-[(1R)-1-[4-(3,5-dichloro-2-ethoxyphenyl)-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
SYSTEMATIC NAME: N-[(1R)-1-[4-[3,5-bis(chloranyl)-2-ethoxy-phenyl]-2-fluoranyl-phenyl]ethyl]-1-[2,2,2-tris(fluoranyl)ethanoylamino]cyclopropane-1-carboxamide
MOLECULAR FORMULA: C22H20Cl2F4N2O3
MOLECULAR WEIGHT: 507.305413
SMILES: CCOC1=C(C=C(C=C1C2=CC(=C(C=C2)[C@@H](C)NC(=O)C3(CC3)NC(=O)C(F)(F)F)F)Cl)Cl
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Product OPENEYE NAME: tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,4S,5S)-6,6-dichloro-4-[[1-(cyclopropylmethyl)-3-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-2,3-dioxo-propyl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxo-ethyl]carbamate
CAS Name: N-[(1S)-1-cyclohexyl-2-[(1R,4S,5S)-6,6-dichloro-4-[[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]amino]-oxomethyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamic acid tert-butyl ester
IUPAC NAME: tert-butyl N-[(1S)-1-cyclohexyl-2-[(1R,4S,5S)-6,6-dichloro-4-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]amino]-3,4-dioxobutan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(1S)-2-[(1R,4S,5S)-6,6-bis(chloranyl)-4-[[1-cyclopropyl-4-[[2-[[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]amino]-3,4-bis(oxidanylidene)butan-2-yl]carbamoyl]-3-azabicyclo[3.1.0]hexan-3-yl]-1-cyclohexyl
MOLECULAR FORMULA: C38H52Cl2N6O8
MOLECULAR WEIGHT: 791.76088
SMILES: CC(C)(C)OC(=O)N[C@@H](C1CCCCC1)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)NC(CC4CC4)C(=O)C(=O)NCC(=O)N[C@@H](C5=CC=CC=C5)C(=O)N(C)C)C3(Cl)Cl
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Product OPENEYE NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S,2S)-1-carbamoyl-2-methyl-butyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-4-thiazolidinecarboxamide
IUPAC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
SYSTEMATIC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(2S,3S)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
MOLECULAR FORMULA: C36H58N6O7S
MOLECULAR WEIGHT: 718.94672
SMILES: CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H]1C(SCN1C(=O)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C)O)(C)C
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Product OPENEYE NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-hydroxy-4-phenyl-butanoyl]-N-[(1S)-2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]amino]-2-oxo-1-phenyl-ethyl]-5,5-dimethyl-thiazolidine-4-carboxamide
CAS Name: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-1-oxopentyl]amino]-3-methyl-1-oxopentyl]amino]-2-hydroxy-1-oxo-4-phenylbutyl]-N-[(1S)-2-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-2-oxo-1-phenylethyl]-5,5-dimethyl-4-thiazolidinecarbo
IUPAC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-2-hydroxy-4-phenylbutanoyl]-N-[(1S)-2-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-2-oxo-1-phenylethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxa
SYSTEMATIC NAME: (4S)-3-[(2S,3S)-3-[[(2S,3S)-2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]-3-methyl-pentanoyl]amino]-2-oxidanyl-4-phenyl-butanoyl]-N-[(1S)-2-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-1-phenyl-ethyl]-5,5-dimethyl
MOLECULAR FORMULA: C43H63N7O8S2
MOLECULAR WEIGHT: 870.13242
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](C(=O)N2CSC([C@@H]2C(=O)N[C@@H](C3=CC=CC=C3)C(=O)N[C@@H](CCSC)C(=O)N)(C)C)O)NC(=O)C
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Product OPENEYE NAME: N-[(3S,4S)-1-acetyl-4-(hydroxycarbamoyl)pyrrolidin-3-yl]-4-[(2-methyl-4-quinolyl)methoxy]benzamide
CAS Name: (3S,4S)-1-acetyl-N-hydroxy-4-[[[4-[(2-methyl-4-quinolinyl)methoxy]phenyl]-oxomethyl]amino]-3-pyrrolidinecarboxamide
IUPAC NAME: (3S,4S)-1-acetyl-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
SYSTEMATIC NAME: (3S,4S)-1-ethanoyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]carbonylamino]-N-oxidanyl-pyrrolidine-3-carboxamide
MOLECULAR FORMULA: C25H26N4O5
MOLECULAR WEIGHT: 462.49774
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CN(C[C@@H]4C(=O)NO)C(=O)C
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Product OPENEYE NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(4-hydroxycyclohexyl)carbamimidoyl]acetamide
CAS Name: N-[amino-(4-hydroxycyclohexyl)iminomethyl]-2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)-1-pyrrolyl]acetamide
IUPAC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(4-hydroxycyclohexyl)carbamimidoyl]acetamide
SYSTEMATIC NAME: 2-[2-(2-chlorophenyl)-5-(4-propoxyphenyl)pyrrol-1-yl]-N-[N'-(4-oxidanylcyclohexyl)carbamimidoyl]ethanamide
MOLECULAR FORMULA: C28H33ClN4O3
MOLECULAR WEIGHT: 509.03962
SMILES: CCCOC1=CC=C(C=C1)C2=CC=C(N2CC(=O)NC(=NC3CCC(CC3)O)N)C4=CC=CC=C4Cl
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Product OPENEYE NAME: 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-propyl-urea
CAS Name: 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-propylurea
IUPAC NAME: 1-[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-propylurea
SYSTEMATIC NAME: 1-[4-(3-azanyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-propyl-urea
MOLECULAR FORMULA: C16H18N6O
MOLECULAR WEIGHT: 310.35372
SMILES: CCCNC(=O)NC1=CC=C(C=C1)C2=CC=NC3=NNC(=C23)N
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Product OPENEYE NAME: (4R,5S)-3-(2-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenyl-propyl]oxazolidin-2-one
CAS Name: (4R,5S)-3-(2-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-oxazolidinone
IUPAC NAME: (4R,5S)-3-(2-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-hydroxy-3-phenylpropyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: (4R,5S)-3-(2-fluorophenyl)-4-(4-hydroxyphenyl)-5-[(1R)-1-oxidanyl-3-phenyl-propyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C24H22FNO4
MOLECULAR WEIGHT: 407.434183
SMILES: C1=CC=C(C=C1)CC[C@H]([C@@H]2[C@H](N(C(=O)O2)C3=CC=CC=C3F)C4=CC=C(C=C4)O)O
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