Monday, December 31, 2012

All Chemical Compounds Information



Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(10-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(10-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(10-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[10-methyl-1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]ethanamide
MOLECULAR FORMULA: C22H29N5O3S
MOLECULAR WEIGHT: 443.56236
SMILES: CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]acetamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]acetamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide
MOLECULAR FORMULA: C24H27N5O4S
MOLECULAR WEIGHT: 481.56728
SMILES: CC1(C(=O)N(C(=O)N1)CC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4-dichloro-benzamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3,4-dichlorobenzamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3,4-dichlorobenzamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3,4-bis(chloranyl)benzamide
MOLECULAR FORMULA: C18H17Cl2N3OS
MOLECULAR WEIGHT: 394.31808
SMILES: CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)Cl)Cl
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Product OPENEYE NAME: 2-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]sulfanyl-N-(5-methylisoxazol-3-yl)propanamide
CAS Name: 2-[[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]amino]-2-oxoethyl]thio]-N-(5-methyl-3-isoxazolyl)propanamide
IUPAC NAME: 2-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SYSTEMATIC NAME: 2-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]amino]-2-oxidanylidene-ethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
MOLECULAR FORMULA: C20H25N5O3S2
MOLECULAR WEIGHT: 447.5742
SMILES: CC1=CC(=NO1)NC(=O)C(C)SCC(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]tetrahydrofuran-2-carboxamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-oxolanecarboxamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]oxolane-2-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]oxolane-2-carboxamide
MOLECULAR FORMULA: C16H21N3O2S
MOLECULAR WEIGHT: 319.42184
SMILES: CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CCCO3
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Product OPENEYE NAME: (2S)-N-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2-[(2-fluorophenyl)sulfonylamino]-N,3-dimethyl-butanamide
CAS Name: (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N,3-dimethylbutanamide
IUPAC NAME: (2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]-N,3-dimethylbutanamide
SYSTEMATIC NAME: (2S)-N-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)sulfonylamino]-N,3-dimethyl-butanamide
MOLECULAR FORMULA: C22H28FN3O4S
MOLECULAR WEIGHT: 449.538823
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=CC=C2F
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Product OPENEYE NAME: methyl (2R)-2-[[2-(4,4-diethyl-2,5-dioxo-imidazolidin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[2-(4,4-diethyl-2,5-dioxo-1-imidazolidinyl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[2-[4,4-diethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H26N4O5
MOLECULAR WEIGHT: 414.45494
SMILES: CCC1(C(=O)N(C(=O)N1)CC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC)CC
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Product OPENEYE NAME: 4-methoxy-N-[(1S)-2-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]propyl]benzamide
CAS Name: 4-methoxy-N-[(2S)-3-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
IUPAC NAME: 4-methoxy-N-[(2S)-3-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 4-methoxy-N-[(2S)-3-methyl-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C21H23N3O3S
MOLECULAR WEIGHT: 397.49062
SMILES: CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H](C(C)C)NC(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]propanoate
MOLECULAR FORMULA: C23H25N3O5S
MOLECULAR WEIGHT: 455.5267
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4
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