2-[[2-(2-methylphenyl)-3-(phenylazanylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-3-(phenylazanylmethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[3-(anilinomethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[3-(anilinomethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[3-(anilinomethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[3-(anilinomethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC=C2CNC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC=C2CNC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C26H28N2O3S/c1-18-9-6-7-13-21(18)24-19(17-27-20-11-4-3-5-12-20)10-8-14-22(24)25(29)28-23(26(30)31)15-16-32-2/h3-14,23,27H,15-17H2,1-2H3,(H,28,29)(H,30,31)