Monday, December 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-(tetrahydrofuran-2-carbonylamino)propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[oxo(2-oxolanyl)methyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-(oxolane-2-carbonylamino)propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-(oxolan-2-ylcarbonylamino)propanoate
MOLECULAR FORMULA: C17H20N2O4
MOLECULAR WEIGHT: 316.3517
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CCCO3
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Product OPENEYE NAME: methyl (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C23H26N2O5
MOLECULAR WEIGHT: 410.46294
SMILES: COC1=C(C=C(C=C1)CCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC)OC
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Product OPENEYE NAME: methyl (2R)-2-[(3-benzamido-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[(3-benzamido-1-oxo-3-phenylpropyl)amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[(3-benzamido-3-phenylpropanoyl)amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[(3-benzamido-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C28H27N3O4
MOLECULAR WEIGHT: 469.53168
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-ethyl-4-methyl-thiophene-2-carboxamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-ethyl-4-methyl-2-thiophenecarboxamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-ethyl-4-methylthiophene-2-carboxamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-ethyl-4-methyl-thiophene-2-carboxamide
MOLECULAR FORMULA: C19H23N3OS2
MOLECULAR WEIGHT: 373.53542
SMILES: CCC1=C(C=C(S1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)C
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(7,9,9-trimethyl-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-(7,9,9-trimethyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(7,9,9-trimethyl-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-[7,9,9-trimethyl-1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]ethanamide
MOLECULAR FORMULA: C24H33N5O3S
MOLECULAR WEIGHT: 471.61552
SMILES: CC1CC(CC2(C1)C(=O)N(C(=O)N2)CC(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3)(C)C
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Product OPENEYE NAME: N-[(1S,2S)-2-methyl-1-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]butyl]benzamide
CAS Name: N-[(2S,3S)-3-methyl-1-oxo-1-[[1-oxo-2-(2-phenylphenoxy)ethyl]hydrazo]pentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]pentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[2-[2-(2-phenylphenoxy)ethanoyl]hydrazinyl]pentan-2-yl]benzamide
MOLECULAR FORMULA: C27H29N3O4
MOLECULAR WEIGHT: 459.53686
SMILES: CC[C@H](C)[C@@H](C(=O)NNC(=O)COC1=CC=CC=C1C2=CC=CC=C2)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 4-methoxy-N-[(1S)-2-methyl-1-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]propyl]benzamide
CAS Name: 4-methoxy-N-[(2S)-3-methyl-1-oxo-1-[[1-oxo-2-(2-phenylphenoxy)ethyl]hydrazo]butan-2-yl]benzamide
IUPAC NAME: 4-methoxy-N-[(2S)-3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]butan-2-yl]benzamide
SYSTEMATIC NAME: 4-methoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-[2-(2-phenylphenoxy)ethanoyl]hydrazinyl]butan-2-yl]benzamide
MOLECULAR FORMULA: C27H29N3O5
MOLECULAR WEIGHT: 475.53626
SMILES: CC(C)[C@@H](C(=O)NNC(=O)COC1=CC=CC=C1C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-(2-phenylsulfanylpropanoylamino)propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(phenylthio)propyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-(2-phenylsulfanylpropanoylamino)propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-(2-phenylsulfanylpropanoylamino)propanoate
MOLECULAR FORMULA: C21H22N2O3S
MOLECULAR WEIGHT: 382.47598
SMILES: CC(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)OC)SC3=CC=CC=C3
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanoate
MOLECULAR FORMULA: C22H20N4O4
MOLECULAR WEIGHT: 404.4186
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CC3=NNC(=O)C4=CC=CC=C43
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Product OPENEYE NAME: 2-methyl-N-[(1S)-2-methyl-1-[[[2-(2-phenylphenoxy)acetyl]amino]carbamoyl]propyl]benzamide
CAS Name: 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[1-oxo-2-(2-phenylphenoxy)ethyl]hydrazo]butan-2-yl]benzamide
IUPAC NAME: 2-methyl-N-[(2S)-3-methyl-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]butan-2-yl]benzamide
SYSTEMATIC NAME: 2-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-[2-(2-phenylphenoxy)ethanoyl]hydrazinyl]butan-2-yl]benzamide
MOLECULAR FORMULA: C27H29N3O4
MOLECULAR WEIGHT: 459.53686
SMILES: CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NNC(=O)COC2=CC=CC=C2C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1S)-1-methyl-2-oxo-2-[2-[2-(2-phenylphenoxy)acetyl]hydrazino]ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-oxo-1-[[1-oxo-2-(2-phenylphenoxy)ethyl]hydrazo]propan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-oxo-1-[2-[2-(2-phenylphenoxy)acetyl]hydrazinyl]propan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-oxidanylidene-1-[2-[2-(2-phenylphenoxy)ethanoyl]hydrazinyl]propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C22H21N3O5
MOLECULAR WEIGHT: 407.41924
SMILES: C[C@@H](C(=O)NNC(=O)COC1=CC=CC=C1C2=CC=CC=C2)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-1-[2-[(5E)-5-benzylidene-2,4-dioxo-thiazolidin-3-yl]ethylcarbamoyl]-2-methyl-propyl]-3-methyl-benzamide
CAS Name: N-[(2S)-1-[2-[(5E)-2,4-dioxo-5-(phenylmethylene)-3-thiazolidinyl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
IUPAC NAME: N-[(2S)-1-[2-[(5E)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SYSTEMATIC NAME: N-[(2S)-1-[2-[(5E)-2,4-bis(oxidanylidene)-5-(phenylmethylidene)-1,3-thiazolidin-3-yl]ethylamino]-3-methyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide
MOLECULAR FORMULA: C25H27N3O4S
MOLECULAR WEIGHT: 465.56458
SMILES: CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)NCCN2C(=O)/C(=C\C3=CC=CC=C3)/SC2=O
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Product OPENEYE NAME: methyl (2R)-2-[[2-(6,7-dimethylbenzofuran-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[2-(6,7-dimethyl-3-benzofuranyl)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C24H24N2O4
MOLECULAR WEIGHT: 404.45836
SMILES: CC1=C(C2=C(C=C1)C(=CO2)CC(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC)C
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Product OPENEYE NAME: methyl (2R)-2-(cyclohex-3-ene-1-carbonylamino)-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[1-cyclohex-3-enyl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-(cyclohex-3-ene-1-carbonylamino)-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-(cyclohex-3-en-1-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C19H22N2O3
MOLECULAR WEIGHT: 326.38958
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CCC=CC3
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Product OPENEYE NAME: N-[(1S)-1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-fluoro-benzamide
CAS Name: N-[(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SYSTEMATIC NAME: 4-fluoranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-2-yl]benzamide
MOLECULAR FORMULA: C22H26FN3O4S
MOLECULAR WEIGHT: 447.522943
SMILES: CC(C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-[(1S)-1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]-3-methyl-benzamide
CAS Name: N-[(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
IUPAC NAME: N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
SYSTEMATIC NAME: 3-methyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-2-yl]benzamide
MOLECULAR FORMULA: C23H29N3O4S
MOLECULAR WEIGHT: 443.55906
SMILES: CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
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Product OPENEYE NAME: N-[(1S)-1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]-2,6-difluoro-benzamide
CAS Name: N-[(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
IUPAC NAME: N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SYSTEMATIC NAME: 2,6-bis(fluoranyl)-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-2-yl]benzamide
MOLECULAR FORMULA: C22H25F2N3O4S
MOLECULAR WEIGHT: 465.513406
SMILES: CC(C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=C(C=CC=C3F)F
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Product OPENEYE NAME: N-[(1S)-1-[4-(benzenesulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-chloro-benzamide
CAS Name: N-[(2S)-1-[4-(benzenesulfonyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
IUPAC NAME: N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
SYSTEMATIC NAME: 4-chloranyl-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-2-yl]benzamide
MOLECULAR FORMULA: C22H26ClN3O4S
MOLECULAR WEIGHT: 463.97754
SMILES: CC(C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[2-(4-methylphenoxy)propanoylamino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[2-(4-methylphenoxy)-1-oxopropyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[2-(4-methylphenoxy)propanoylamino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[2-(4-methylphenoxy)propanoylamino]propanoate
MOLECULAR FORMULA: C22H24N2O4
MOLECULAR WEIGHT: 380.43696
SMILES: CC1=CC=C(C=C1)OC(C)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
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