Monday, December 31, 2012

All Chemical Compounds Information




Product OPENEYE NAME: methyl (2R)-2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H23N3O4
MOLECULAR WEIGHT: 381.42502
SMILES: CC1=C(NC(=C1C(=O)C)C)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[1-[(4-chlorophenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[1-(4-chlorobenzoyl)piperidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[1-(4-chlorophenyl)carbonylpiperidin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C25H26ClN3O4
MOLECULAR WEIGHT: 467.94464
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl
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Product OPENEYE NAME: methyl (2R)-2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[1-(1,1-dioxo-3-thiolanyl)-6-oxo-4,5-dihydropyridazin-3-yl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[1-(1,1-dioxothiolan-3-yl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[1-[1,1-bis(oxidanylidene)thiolan-3-yl]-6-oxidanylidene-4,5-dihydropyridazin-3-yl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H24N4O6S
MOLECULAR WEIGHT: 460.50346
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=NN(C(=O)CC3)C4CCS(=O)(=O)C4
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Product OPENEYE NAME: methyl (2R)-2-[(3,5-dimethoxy-4-methyl-benzoyl)amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[(3,5-dimethoxy-4-methylphenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[(3,5-dimethoxy-4-methylbenzoyl)amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[(3,5-dimethoxy-4-methyl-phenyl)carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C22H24N2O5
MOLECULAR WEIGHT: 396.43636
SMILES: CC1=C(C=C(C=C1OC)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC)OC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H21N3O5S
MOLECULAR WEIGHT: 463.50564
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)-1-oxoethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-(8-methyl-1,3-dioxo-2,4-diazaspiro[4.5]decan-2-yl)acetyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[2-[8-methyl-1,3-bis(oxidanylidene)-2,4-diazaspiro[4.5]decan-2-yl]ethanoylamino]propanoate
MOLECULAR FORMULA: C23H28N4O5
MOLECULAR WEIGHT: 440.49222
SMILES: CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[4-methyl-2,5-dioxo-4-(p-tolyl)imidazolidin-1-yl]acetyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxo-1-imidazolidinyl]-1-oxoethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[2-[4-methyl-4-(4-methylphenyl)-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanoylamino]propanoate
MOLECULAR FORMULA: C25H26N4O5
MOLECULAR WEIGHT: 462.49774
SMILES: CC1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CC(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC)C
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Product OPENEYE NAME: N-[(1S)-1-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide
CAS Name: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide
MOLECULAR FORMULA: C23H24FN3O4S
MOLECULAR WEIGHT: 457.517763
SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=C(C=C3)F
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Product OPENEYE NAME: N-[(1S)-1-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-2,6-difluoro-benzamide
CAS Name: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
IUPAC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2,6-bis(fluoranyl)benzamide
MOLECULAR FORMULA: C23H23F2N3O4S
MOLECULAR WEIGHT: 475.508226
SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=C(C=CC=C3F)F
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Product OPENEYE NAME: N-[(1S)-1-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C21H23N3O5S
MOLECULAR WEIGHT: 429.48942
SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-1-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]carbamoyl]-2-methyl-propyl]-2-fluoro-benzamide
CAS Name: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-2-thiazolyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C23H24FN3O4S
MOLECULAR WEIGHT: 457.517763
SMILES: CC(C)[C@@H](C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: methyl (2R)-2-[[2-(2-bromo-4-chloro-phenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[2-(2-bromo-4-chlorophenoxy)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[2-(2-bromanyl-4-chloranyl-phenoxy)ethanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C20H18BrClN2O4
MOLECULAR WEIGHT: 465.72492
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)COC3=C(C=C(C=C3)Cl)Br
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Product OPENEYE NAME: methyl (2R)-2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[[3-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[[3-(azepan-1-ylsulfonyl)benzoyl]amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[[3-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C25H29N3O5S
MOLECULAR WEIGHT: 483.57986
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4
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Product OPENEYE NAME: N-[(1S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-propyl]-2-fluoro-benzamide
CAS Name: N-[(2S)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
IUPAC NAME: N-[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
SYSTEMATIC NAME: N-[(2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-2-fluoranyl-benzamide
MOLECULAR FORMULA: C24H30FN3O5S
MOLECULAR WEIGHT: 491.575503
SMILES: CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3F
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Product OPENEYE NAME: methyl (2R)-2-[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C20H22N2O3S
MOLECULAR WEIGHT: 370.46528
SMILES: CCC1=C(C=C(S1)C(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC)C
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Product OPENEYE NAME: N-[(1S,2S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-butyl]benzamide
CAS Name: N-[(2S,3S)-1-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
IUPAC NAME: N-[(2S,3S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
SYSTEMATIC NAME: N-[(2S,3S)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide
MOLECULAR FORMULA: C25H33N3O5S
MOLECULAR WEIGHT: 487.61162
SMILES: CC[C@H](C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC)NC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-morpholinosulfonylbenzoyl)amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[(4-morpholin-4-ylsulfonylphenyl)carbonylamino]propanoate
MOLECULAR FORMULA: C23H25N3O6S
MOLECULAR WEIGHT: 471.5261
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4
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Product OPENEYE NAME: methyl (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-(1H-indol-3-yl)propanoate
CAS Name: (2R)-2-[[3-(4-chlorophenyl)sulfonyl-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester
IUPAC NAME: methyl (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-(1H-indol-3-yl)propanoate
SYSTEMATIC NAME: methyl (2R)-2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-3-(1H-indol-3-yl)propanoate
MOLECULAR FORMULA: C21H21ClN2O5S
MOLECULAR WEIGHT: 448.91984
SMILES: COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
IUPAC NAME: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
SYSTEMATIC NAME: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)butanamide
MOLECULAR FORMULA: C20H23N3O4S2
MOLECULAR WEIGHT: 433.54432
SMILES: CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=C(C=C3)OC
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Product OPENEYE NAME: 2-chloro-N-[(1S)-1-methyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]benzamide
CAS Name: 2-chloro-N-[(2S)-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]benzamide
IUPAC NAME: 2-chloro-N-[(2S)-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]benzamide
SYSTEMATIC NAME: 2-chloranyl-N-[(2S)-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]benzamide
MOLECULAR FORMULA: C18H16ClN3O2S
MOLECULAR WEIGHT: 373.85654
SMILES: CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H](C)NC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: N-[(1S)-1-methyl-2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]furan-2-carboxamide
CAS Name: N-[(2S)-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]-2-furancarboxamide
IUPAC NAME: N-[(2S)-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
SYSTEMATIC NAME: N-[(2S)-1-[(4-methyl-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide
MOLECULAR FORMULA: C16H15N3O3S
MOLECULAR WEIGHT: 329.3736
SMILES: CC1=C2C(=CC=C1)SC(=N2)NC(=O)[C@H](C)NC(=O)C3=CC=CO3
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Product OPENEYE NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-nitrophenyl)acetamide
CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2-nitrophenyl)acetamide
IUPAC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2-nitrophenyl)acetamide
SYSTEMATIC NAME: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-nitrophenyl)ethanamide
MOLECULAR FORMULA: C19H20N4O3S
MOLECULAR WEIGHT: 384.4521
SMILES: CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CC3=CC=CC=C3[N+](=O)[O-]
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[[3-[methyl(phenyl)sulfamoyl]phenyl]-oxomethyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[3-[methyl(phenyl)sulfamoyl]benzoyl]amino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[[3-[methyl(phenyl)sulfamoyl]phenyl]carbonylamino]propanoate
MOLECULAR FORMULA: C26H25N3O5S
MOLECULAR WEIGHT: 491.5588
SMILES: CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)OC
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Product OPENEYE NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[3-[(2-methoxybenzoyl)amino]propanoylamino]propanoate
CAS Name: (2R)-3-(1H-indol-3-yl)-2-[[3-[[(2-methoxyphenyl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid methyl ester
IUPAC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[3-[(2-methoxybenzoyl)amino]propanoylamino]propanoate
SYSTEMATIC NAME: methyl (2R)-3-(1H-indol-3-yl)-2-[3-[(2-methoxyphenyl)carbonylamino]propanoylamino]propanoate
MOLECULAR FORMULA: C23H25N3O5
MOLECULAR WEIGHT: 423.4617
SMILES: COC1=CC=CC=C1C(=O)NCCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC
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