methyl (2S)-2-[[4-(1-cyclohexylhexan-2-yloxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[4-(1-cyclohexylhexan-2-yloxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[4-[1-(cyclohexylmethyl)pentoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[4-(1-cyclohexylhexan-2-yloxymethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1-cyclohexylhexan-2-yloxymethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[4-[1-(cyclohexylmethyl)pentoxymethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C33H47NO4S MolecularWeight: 553.79558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)OC)C3=CC=CC=C3C

Isomeric SMILES

CCCCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)N[C@@H](CCSC)C(=O)OC)C3=CC=CC=C3C

InChI

InChI=1S/C33H47NO4S/c1-5-6-15-27(21-25-13-8-7-9-14-25)38-23-26-17-18-29(30(22-26)28-16-11-10-12-24(28)2)32(35)34-31(19-20-39-4)33(36)37-3/h10-12,16-18,22,25,27,31H,5-9,13-15,19-21,23H2,1-4H3,(H,34,35)/t27?,31-/m0/s1