2-[[2-(2-methylphenyl)-4-[(1-phenylmethoxybutan-2-ylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(1-phenylmethoxybutan-2-ylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(benzyloxymethyl)propylamino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(1-phenylmethoxybutan-2-ylamino)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(1-phenylmethoxybutan-2-ylamino)methyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(benzoxymethyl)propylamino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C31H38N2O4S MolecularWeight: 534.70942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC1=CC=CC=C1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCC(COCC1=CC=CC=C1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C31H38N2O4S/c1-4-25(21-37-20-23-11-6-5-7-12-23)32-19-24-14-15-27(28(18-24)26-13-9-8-10-22(26)2)30(34)33-29(31(35)36)16-17-38-3/h5-15,18,25,29,32H,4,16-17,19-21H2,1-3H3,(H,33,34)(H,35,36)