methyl (2S)-2-[[4-[[2-cyclohexylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-[[2-cyclohexylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[[tert-butoxycarbonyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[[2-cyclohexylethyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[[2-cyclohexylethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[[tert-butoxycarbonyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C34H48N2O5S MolecularWeight: 596.82032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCC3CCCCC3)C(=O)OC(C)(C)C)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCC3CCCCC3)C(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C34H48N2O5S/c1-24-12-10-11-15-27(24)29-22-26(16-17-28(29)31(37)35-30(19-21-42-6)32(38)40-5)23-36(33(39)41-34(2,3)4)20-18-25-13-8-7-9-14-25/h10-12,15-17,22,25,30H,7-9,13-14,18-21,23H2,1-6H3,(H,35,37)/t30-/m0/s1