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

Systemtic Name: methyl (2S)-2-[[4-[[2-cyclohexylethyl(phenylcarbonyl)amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[[benzoyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-[[benzoyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-[[benzoyl(2-cyclohexylethyl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[[benzoyl(2-cyclohexylethyl)amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C36H44N2O4S MolecularWeight: 600.81056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCC3CCCCC3)C(=O)C4=CC=CC=C4)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(CCC3CCCCC3)C(=O)C4=CC=CC=C4)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C36H44N2O4S/c1-26-12-10-11-17-30(26)32-24-28(18-19-31(32)34(39)37-33(21-23-43-3)36(41)42-2)25-38(22-20-27-13-6-4-7-14-27)35(40)29-15-8-5-9-16-29/h5,8-12,15-19,24,27,33H,4,6-7,13-14,20-23,25H2,1-3H3,(H,37,39)/t33-/m0/s1