2-[[2-(2-methylphenyl)-4-[(phenylmethyl)-pyridin-3-yl-carbamoyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(phenylmethyl)-pyridin-3-yl-carbamoyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[benzyl(3-pyridyl)carbamoyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[oxo-[(phenylmethyl)-(3-pyridinyl)amino]methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[benzyl(pyridin-3-yl)carbamoyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[benzyl(3-pyridyl)carbamoyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C32H31N3O4S MolecularWeight: 553.67124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(=O)N(CC3=CC=CC=C3)C4=CN=CC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(=O)N(CC3=CC=CC=C3)C4=CN=CC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C32H31N3O4S/c1-22-9-6-7-13-26(22)28-19-24(14-15-27(28)30(36)34-29(32(38)39)16-18-40-2)31(37)35(25-12-8-17-33-20-25)21-23-10-4-3-5-11-23/h3-15,17,19-20,29H,16,18,21H2,1-2H3,(H,34,36)(H,38,39)