2-[[4-(3-cyclohexyloxyheptyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(3-cyclohexyloxyheptyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[3-(cyclohexoxy)heptyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(3-cyclohexyloxyheptyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(3-cyclohexyloxyheptyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[3-(cyclohexoxy)heptyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C32H45NO4S MolecularWeight: 539.769

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C)OC3CCCCC3

Isomeric SMILES

CCCCC(CCC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C)OC3CCCCC3

InChI

InChI=1S/C32H45NO4S/c1-4-5-12-26(37-25-13-7-6-8-14-25)18-16-24-17-19-28(29(22-24)27-15-10-9-11-23(27)2)31(34)33-30(32(35)36)20-21-38-3/h9-11,15,17,19,22,25-26,30H,4-8,12-14,16,18,20-21H2,1-3H3,(H,33,34)(H,35,36)