2-[[2-(2-methylphenyl)-4-[(phenylmethyl)sulfonylmethyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(phenylmethyl)sulfonylmethyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(benzylsulfonylmethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(phenylmethyl)sulfonylmethyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(benzylsulfonylmethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(benzylsulfonylmethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C27H29NO5S2 MolecularWeight: 511.65286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CS(=O)(=O)CC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CS(=O)(=O)CC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C27H29NO5S2/c1-19-8-6-7-11-22(19)24-16-21(18-35(32,33)17-20-9-4-3-5-10-20)12-13-23(24)26(29)28-25(27(30)31)14-15-34-2/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,28,29)(H,30,31)