2-[[4-[4-cyclohexyl-2-(hydroxymethyl)butyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: 2-[[4-[4-cyclohexyl-2-(hydroxymethyl)butyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: 2-[[4-[4-cyclohexyl-2-(hydroxymethyl)butyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[4-cyclohexyl-2-(hydroxymethyl)butyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: 2-[[4-[4-cyclohexyl-2-(hydroxymethyl)butyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-(4-cyclohexyl-2-methylol-butyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyrate Formula: C30H40NO4S- MolecularWeight: 510.7079

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CC(CCC3CCCCC3)CO)C(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CC(CCC3CCCCC3)CO)C(=O)NC(CCSC)C(=O)[O-]

InChI

InChI=1S/C30H41NO4S/c1-21-8-6-7-11-25(21)27-19-23(18-24(20-32)13-12-22-9-4-3-5-10-22)14-15-26(27)29(33)31-28(30(34)35)16-17-36-2/h6-8,11,14-15,19,22,24,28,32H,3-5,9-10,12-13,16-18,20H2,1-2H3,(H,31,33)(H,34,35)/p-1