methyl 2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-methoxy-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-methoxy-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[[1-(cyclohexylmethyl)propylamino]methyl]-5-methoxy-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-methoxy-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-cyclohexylbutan-2-ylamino)methyl]-5-methoxy-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)propylamino]methyl]-5-methoxy-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C32H46N2O4S MolecularWeight: 554.78364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1CCCCC1)NCC2=C(C=C(C(=C2)C3=CC=CC=C3C)C(=O)NC(CCSC)C(=O)OC)OC

Isomeric SMILES

CCC(CC1CCCCC1)NCC2=C(C=C(C(=C2)C3=CC=CC=C3C)C(=O)NC(CCSC)C(=O)OC)OC

InChI

InChI=1S/C32H46N2O4S/c1-6-25(18-23-13-8-7-9-14-23)33-21-24-19-27(26-15-11-10-12-22(26)2)28(20-30(24)37-3)31(35)34-29(16-17-39-5)32(36)38-4/h10-12,15,19-20,23,25,29,33H,6-9,13-14,16-18,21H2,1-5H3,(H,34,35)