Thursday, August 8, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenyl-butanoyl)-methyl-amino]-3-phenyl-propanoic acid
CAS Name: 2-[[3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]-methylamino]-3-phenylpropanoic acid
IUPAC NAME: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)-methylamino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[(3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl)-methyl-amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C23H25NO5S
MOLECULAR WEIGHT: 427.5133
SMILES: CC(C(C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)N(C)C(CC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoyl]amino]-4-methyl-pentanoic acid
CAS Name: 2-[[3-(acetylthio)-4-(4-methoxyphenyl)-1,4-dioxobutyl]amino]-4-methylpentanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C19H25NO6S
MOLECULAR WEIGHT: 395.4699
SMILES: CC(C)CC(C(=O)O)NC(=O)CC(C(=O)C1=CC=C(C=C1)OC)SC(=O)C
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(4-chlorophenyl)-2-methyl-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid
CAS Name: 2-[[3-(acetylthio)-4-(4-chlorophenyl)-2-methyl-1,4-dioxobutyl]amino]-3-phenylpropanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(4-chlorophenyl)-2-methyl-4-oxobutanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[[4-(4-chlorophenyl)-3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C22H22ClNO5S
MOLECULAR WEIGHT: 447.93178
SMILES: CC(C(C(=O)C1=CC=C(C=C1)Cl)SC(=O)C)C(=O)NC(CC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(3-fluorophenyl)-4-oxo-butanoyl]amino]-3-methyl-butanoic acid
CAS Name: 2-[[3-(acetylthio)-4-(3-fluorophenyl)-1,4-dioxobutyl]amino]-3-methylbutanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(3-fluorophenyl)-4-oxobutanoyl]amino]-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[[3-ethanoylsulfanyl-4-(3-fluorophenyl)-4-oxidanylidene-butanoyl]amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C17H20FNO5S
MOLECULAR WEIGHT: 369.407803
SMILES: CC(C)C(C(=O)O)NC(=O)CC(C(=O)C1=CC(=CC=C1)F)SC(=O)C
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoyl]amino]-3-methylsulfanyl-propanoic acid
CAS Name: 2-[[3-(acetylthio)-4-(4-methoxyphenyl)-1,4-dioxobutyl]amino]-3-(methylthio)propanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-3-methylsulfanylpropanoic acid
SYSTEMATIC NAME: 2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]amino]-3-methylsulfanyl-propanoic acid
MOLECULAR FORMULA: C17H21NO6S2
MOLECULAR WEIGHT: 399.48174
SMILES: CC(=O)SC(CC(=O)NC(CSC)C(=O)O)C(=O)C1=CC=C(C=C1)OC
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-oxo-4-(4-phenylphenyl)butanoyl]-methyl-amino]acetic acid
CAS Name: 2-[[3-(acetylthio)-1,4-dioxo-4-(4-phenylphenyl)butyl]-methylamino]acetic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-oxo-4-(4-phenylphenyl)butanoyl]-methylamino]acetic acid
SYSTEMATIC NAME: 2-[[3-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenylphenyl)butanoyl]-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C21H21NO5S
MOLECULAR WEIGHT: 399.46014
SMILES: CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]amino]-4-methylsulfanyl-butanoic acid
CAS Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]amino]-4-(methylthio)butanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]amino]-4-methylsulfanylbutanoic acid
SYSTEMATIC NAME: 2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-4-methylsulfanyl-butanoic acid
MOLECULAR FORMULA: C17H20BrNO5S2
MOLECULAR WEIGHT: 462.3784
SMILES: CC(=O)SC(CC(=O)NC(CCSC)C(=O)O)C(=O)C1=CC=C(C=C1)Br
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Product OPENEYE NAME: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenyl-butanoyl)amino]-3-benzyloxy-propanoic acid
CAS Name: 2-[[3-(acetylthio)-2-methyl-1,4-dioxo-4-phenylbutyl]amino]-3-phenylmethoxypropanoic acid
IUPAC NAME: 2-[(3-acetylsulfanyl-2-methyl-4-oxo-4-phenylbutanoyl)amino]-3-phenylmethoxypropanoic acid
SYSTEMATIC NAME: 2-[(3-ethanoylsulfanyl-2-methyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-phenylmethoxy-propanoic acid
MOLECULAR FORMULA: C23H25NO6S
MOLECULAR WEIGHT: 443.5127
SMILES: CC(C(C(=O)C1=CC=CC=C1)SC(=O)C)C(=O)NC(COCC2=CC=CC=C2)C(=O)O
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxo-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CAS Name: 2-[[3-(acetylthio)-4-(4-bromophenyl)-1,4-dioxobutyl]amino]-3-(1H-indol-3-yl)propanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(4-bromophenyl)-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
SYSTEMATIC NAME: 2-[[4-(4-bromophenyl)-3-ethanoylsulfanyl-4-oxidanylidene-butanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
MOLECULAR FORMULA: C23H21BrN2O5S
MOLECULAR WEIGHT: 517.39224
SMILES: CC(=O)SC(CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 2-[(2-acetylsulfanyl-4-oxo-4-phenyl-butanoyl)amino]-3-methyl-butanoic acid
CAS Name: 2-[[2-(acetylthio)-1,4-dioxo-4-phenylbutyl]amino]-3-methylbutanoic acid
IUPAC NAME: 2-[(2-acetylsulfanyl-4-oxo-4-phenylbutanoyl)amino]-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[(2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C17H21NO5S
MOLECULAR WEIGHT: 351.41734
SMILES: CC(C)C(C(=O)O)NC(=O)C(CC(=O)C1=CC=CC=C1)SC(=O)C
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Product OPENEYE NAME: 2-[(2-acetylsulfanyl-4-oxo-4-phenyl-butanoyl)amino]propanoic acid
CAS Name: 2-[[2-(acetylthio)-1,4-dioxo-4-phenylbutyl]amino]propanoic acid
IUPAC NAME: 2-[(2-acetylsulfanyl-4-oxo-4-phenylbutanoyl)amino]propanoic acid
SYSTEMATIC NAME: 2-[(2-ethanoylsulfanyl-4-oxidanylidene-4-phenyl-butanoyl)amino]propanoic acid
MOLECULAR FORMULA: C15H17NO5S
MOLECULAR WEIGHT: 323.36418
SMILES: CC(C(=O)O)NC(=O)C(CC(=O)C1=CC=CC=C1)SC(=O)C
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-2-methyl-4-(2-naphthyl)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid
CAS Name: 2-[[3-(acetylthio)-2-methyl-4-(2-naphthalenyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid
IUPAC NAME: 2-[(3-acetylsulfanyl-2-methyl-4-naphthalen-2-yl-4-oxobutanoyl)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[(3-ethanoylsulfanyl-2-methyl-4-naphthalen-2-yl-4-oxidanylidene-butanoyl)amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C26H25NO5S
MOLECULAR WEIGHT: 463.5454
SMILES: CC(C(C(=O)C1=CC2=CC=CC=C2C=C1)SC(=O)C)C(=O)NC(CC3=CC=CC=C3)C(=O)O
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxo-butanoyl]-methyl-amino]acetic acid
CAS Name: 2-[[3-(acetylthio)-4-(4-methoxyphenyl)-1,4-dioxobutyl]-methylamino]acetic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(4-methoxyphenyl)-4-oxobutanoyl]-methylamino]acetic acid
SYSTEMATIC NAME: 2-[[3-ethanoylsulfanyl-4-(4-methoxyphenyl)-4-oxidanylidene-butanoyl]-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C16H19NO6S
MOLECULAR WEIGHT: 353.39016
SMILES: CC(=O)SC(CC(=O)N(C)CC(=O)O)C(=O)C1=CC=C(C=C1)OC
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-oxo-4-(4-phenylphenyl)butanoyl]amino]-4-methyl-pentanoic acid
CAS Name: 2-[[3-(acetylthio)-1,4-dioxo-4-(4-phenylphenyl)butyl]amino]-4-methylpentanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-oxo-4-(4-phenylphenyl)butanoyl]amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[[3-ethanoylsulfanyl-4-oxidanylidene-4-(4-phenylphenyl)butanoyl]amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C24H27NO5S
MOLECULAR WEIGHT: 441.53988
SMILES: CC(C)CC(C(=O)O)NC(=O)CC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)SC(=O)C
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Product OPENEYE NAME: 2-[[3-acetylsulfanyl-4-(3-fluorophenyl)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid
CAS Name: 2-[[3-(acetylthio)-4-(3-fluorophenyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid
IUPAC NAME: 2-[[3-acetylsulfanyl-4-(3-fluorophenyl)-4-oxobutanoyl]amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[[3-ethanoylsulfanyl-4-(3-fluorophenyl)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C21H20FNO5S
MOLECULAR WEIGHT: 417.450603
SMILES: CC(=O)SC(CC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)C2=CC(=CC=C2)F
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Product OPENEYE NAME: 3-hydroperoxyisoindol-1-one
CAS Name: 3-hydroperoxy-1-isoindolone
IUPAC NAME: 3-hydroperoxyisoindol-1-one
SYSTEMATIC NAME: 3-(dioxidanyl)isoindol-1-one
MOLECULAR FORMULA: C8H5NO3
MOLECULAR WEIGHT: 163.1302
SMILES: C1=CC=C2C(=C1)C(=NC2=O)OO
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