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

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(o-tolylmethylsulfanylmethyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[[(2-methylphenyl)methylthio]methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(2-methylphenyl)methylsulfanylmethyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[(2-methylbenzyl)thio]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H31NO3S2 MolecularWeight: 493.68064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC=CC=C1CSCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C28H31NO3S2/c1-19-8-4-6-10-22(19)18-34-17-21-12-13-24(25(16-21)23-11-7-5-9-20(23)2)27(30)29-26(28(31)32)14-15-33-3/h4-13,16,26H,14-15,17-18H2,1-3H3,(H,29,30)(H,31,32)