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

Systemtic Name: methyl 2-[[2-(2-methylphenyl)-4-[(1-phenylmethoxybutan-2-ylamino)methyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[[1-(benzyloxymethyl)propylamino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-(2-methylphenyl)-4-[(1-phenylmethoxybutan-2-ylamino)methyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(2-methylphenyl)-4-[(1-phenylmethoxybutan-2-ylamino)methyl]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[[1-(benzoxymethyl)propylamino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C32H40N2O4S MolecularWeight: 548.736

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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)OC)C3=CC=CC=C3C

Isomeric SMILES

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

InChI

InChI=1S/C32H40N2O4S/c1-5-26(22-38-21-24-12-7-6-8-13-24)33-20-25-15-16-28(29(19-25)27-14-10-9-11-23(27)2)31(35)34-30(17-18-39-4)32(36)37-3/h6-16,19,26,30,33H,5,17-18,20-22H2,1-4H3,(H,34,35)