Monday, December 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: N-[(1S)-1-benzyl-2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[1-(2,4-dichlorophenyl)ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C22H20Cl2N2O3
MOLECULAR WEIGHT: 431.3118
SMILES: CC(C1=C(C=C(C=C1)Cl)Cl)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-1-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-2-methyl-propyl]-2-fluoro-benzamide
CAS Name: N-[(2S)-1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[1-(2,4-dichlorophenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C20H21Cl2FN2O2
MOLECULAR WEIGHT: 411.297343
SMILES: CC(C)[C@@H](C(=O)NC(C)C1=C(C=C(C=C1)Cl)Cl)NC(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxo-ethyl]-N,3-dimethyl-butanamide
CAS Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
IUPAC NAME: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[2-(4-methoxyanilino)-2-oxoethyl]-N,3-dimethylbutanamide
SYSTEMATIC NAME: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]-N,3-dimethyl-butanamide
MOLECULAR FORMULA: C21H26FN3O5S
MOLECULAR WEIGHT: 451.511643
SMILES: CC(C)[C@@H](C(=O)N(C)CC(=O)NC1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: (2S)-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-2-(p-tolylsulfonylamino)butanamide
CAS Name: (2S)-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-2-[(4-methylphenyl)sulfonylamino]butanamide
IUPAC NAME: (2S)-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-2-[(4-methylphenyl)sulfonylamino]butanamide
SYSTEMATIC NAME: (2S)-N-[(4-fluorophenyl)methyl]-N,3-dimethyl-2-[(4-methylphenyl)sulfonylamino]butanamide
MOLECULAR FORMULA: C20H25FN2O3S
MOLECULAR WEIGHT: 392.487503
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N(C)CC2=CC=C(C=C2)F
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Product OPENEYE NAME: methyl 4-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]butanoate
CAS Name: 4-[[(2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]butanoic acid methyl ester
IUPAC NAME: methyl 4-[[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]amino]butanoate
SYSTEMATIC NAME: methyl 4-[[(2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoyl]amino]butanoate
MOLECULAR FORMULA: C18H26N2O4
MOLECULAR WEIGHT: 334.41004
SMILES: CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCCCC(=O)OC
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Product OPENEYE NAME: methyl 4-[[(2S)-2-[(2,6-difluorobenzoyl)amino]-3-methyl-butanoyl]amino]butanoate
CAS Name: 4-[[(2S)-2-[[(2,6-difluorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]butanoic acid methyl ester
IUPAC NAME: methyl 4-[[(2S)-2-[(2,6-difluorobenzoyl)amino]-3-methylbutanoyl]amino]butanoate
SYSTEMATIC NAME: methyl 4-[[(2S)-2-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-3-methyl-butanoyl]amino]butanoate
MOLECULAR FORMULA: C17H22F2N2O4
MOLECULAR WEIGHT: 356.364386
SMILES: CC(C)[C@@H](C(=O)NCCCC(=O)OC)NC(=O)C1=C(C=CC=C1F)F
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Product OPENEYE NAME: N-[(1S,2S)-2-methyl-1-(2-phenylpropylcarbamoyl)butyl]benzamide
CAS Name: N-[(2S,3S)-3-methyl-1-oxo-1-(2-phenylpropylamino)pentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-3-methyl-1-oxo-1-(2-phenylpropylamino)pentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-3-methyl-1-oxidanylidene-1-(2-phenylpropylamino)pentan-2-yl]benzamide
MOLECULAR FORMULA: C22H28N2O2
MOLECULAR WEIGHT: 352.46992
SMILES: CC[C@H](C)[C@@H](C(=O)NCC(C)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2
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Product OPENEYE NAME: 4-methoxy-N-[(1S)-2-methyl-1-(2-phenylpropylcarbamoyl)propyl]benzamide
CAS Name: 4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenylpropylamino)butan-2-yl]benzamide
IUPAC NAME: 4-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenylpropylamino)butan-2-yl]benzamide
SYSTEMATIC NAME: 4-methoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-(2-phenylpropylamino)butan-2-yl]benzamide
MOLECULAR FORMULA: C22H28N2O3
MOLECULAR WEIGHT: 368.46932
SMILES: CC(C)[C@@H](C(=O)NCC(C)C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)OC
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Product OPENEYE NAME: methyl 4-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]butanoate
CAS Name: 4-[[(2S,3S)-2-benzamido-3-methyl-1-oxopentyl]amino]butanoic acid methyl ester
IUPAC NAME: methyl 4-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]butanoate
SYSTEMATIC NAME: methyl 4-[[(2S,3S)-2-benzamido-3-methyl-pentanoyl]amino]butanoate
MOLECULAR FORMULA: C18H26N2O4
MOLECULAR WEIGHT: 334.41004
SMILES: CC[C@H](C)[C@@H](C(=O)NCCCC(=O)OC)NC(=O)C1=CC=CC=C1
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Product OPENEYE NAME: 3-(diethylsulfamoyl)-N-[(1S)-2-methyl-1-(2-phenylpropylcarbamoyl)propyl]benzamide
CAS Name: 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-phenylpropylamino)butan-2-yl]benzamide
IUPAC NAME: 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxo-1-(2-phenylpropylamino)butan-2-yl]benzamide
SYSTEMATIC NAME: 3-(diethylsulfamoyl)-N-[(2S)-3-methyl-1-oxidanylidene-1-(2-phenylpropylamino)butan-2-yl]benzamide
MOLECULAR FORMULA: C25H35N3O4S
MOLECULAR WEIGHT: 473.6281
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C2=CC=CC=C2
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Product OPENEYE NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-phenylpropyl)butanamide
CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-phenylpropyl)butanamide
IUPAC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-phenylpropyl)butanamide
SYSTEMATIC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-phenylpropyl)butanamide
MOLECULAR FORMULA: C20H25BrN2O3S
MOLECULAR WEIGHT: 453.3931
SMILES: CC(C)[C@@H](C(=O)NCC(C)C1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)Br
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Product OPENEYE NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-methoxy-N,3-dimethyl-butanamide
CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-methoxy-N,3-dimethylbutanamide
IUPAC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-methoxy-N,3-dimethylbutanamide
SYSTEMATIC NAME: (2S)-2-[(4-bromophenyl)sulfonylamino]-N-methoxy-N,3-dimethyl-butanamide
MOLECULAR FORMULA: C13H19BrN2O4S
MOLECULAR WEIGHT: 379.26996
SMILES: CC(C)[C@@H](C(=O)N(C)OC)NS(=O)(=O)C1=CC=C(C=C1)Br
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Product OPENEYE NAME: N-[(1S)-1-[1-(4-imidazol-1-ylphenyl)ethylcarbamoyl]-2-methyl-propyl]-2-methyl-benzamide
CAS Name: N-[(2S)-1-[1-[4-(1-imidazolyl)phenyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
IUPAC NAME: N-[(2S)-1-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
SYSTEMATIC NAME: N-[(2S)-1-[1-(4-imidazol-1-ylphenyl)ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide
MOLECULAR FORMULA: C24H28N4O2
MOLECULAR WEIGHT: 404.50472
SMILES: CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC(C)C2=CC=C(C=C2)N3C=CN=C3
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Product OPENEYE NAME: (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide
CAS Name: (2S)-N-[1-[4-(1-imidazolyl)phenyl]ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
IUPAC NAME: (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanamide
MOLECULAR FORMULA: C23H28N4O4S
MOLECULAR WEIGHT: 456.55782
SMILES: CC(C)[C@@H](C(=O)NC(C)C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-butanamide
CAS Name: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[1-[4-(1-imidazolyl)phenyl]ethyl]-3-methylbutanamide
IUPAC NAME: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methylbutanamide
SYSTEMATIC NAME: (2S)-2-[(2-fluorophenyl)sulfonylamino]-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methyl-butanamide
MOLECULAR FORMULA: C22H25FN4O3S
MOLECULAR WEIGHT: 444.522303
SMILES: CC(C)[C@@H](C(=O)NC(C)C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: N-[(1S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-propyl]-2,6-difluoro-benzamide
CAS Name: N-[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
IUPAC NAME: N-[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2,6-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C21H21F2N3O3S
MOLECULAR WEIGHT: 433.471546
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NC(=O)C3=C(C=CC=C3F)F
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Product OPENEYE NAME: N-[(1S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-2-methyl-propyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C19H21N3O4S
MOLECULAR WEIGHT: 387.45274
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H](C(C)C)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-isopropyl-4-oxo-phthalazine-1-carboxamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide
MOLECULAR FORMULA: C27H25N5O2
MOLECULAR WEIGHT: 451.5197
SMILES: CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@@H](CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]acetamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanamide
MOLECULAR FORMULA: C28H26N4O3S
MOLECULAR WEIGHT: 498.59604
SMILES: COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N[C@@H](CC3=CC=CC=C3)C4=NC5=CC=CC=C5N4)OC
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