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

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(2-phenylethanoylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(2-phenylacetyl)amino]benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(1-oxo-2-phenylethyl)amino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(2-phenylacetyl)amino]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(2-phenylacetyl)amino]benzoyl]amino]butyric acid Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4S/c1-18-8-6-7-11-21(18)23-17-20(28-25(30)16-19-9-4-3-5-10-19)12-13-22(23)26(31)29-24(27(32)33)14-15-34-2/h3-13,17,24H,14-16H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)