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

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(3-methylphenyl)methoxymethyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(m-tolylmethoxymethyl)-2-(o-tolyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(3-methylphenyl)methoxymethyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(3-methylphenyl)methoxymethyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(3-methylbenzyl)oxymethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H31NO4S MolecularWeight: 477.61504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=CC=C1)COCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C28H31NO4S/c1-19-7-6-9-21(15-19)17-33-18-22-11-12-24(25(16-22)23-10-5-4-8-20(23)2)27(30)29-26(28(31)32)13-14-34-3/h4-12,15-16,26H,13-14,17-18H2,1-3H3,(H,29,30)(H,31,32)