2-[[4-(1-cyclohexyloxy-1-oxidanylidene-propan-2-yl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(1-cyclohexyloxy-1-oxidanylidene-propan-2-yl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[2-(cyclohexoxy)-1-methyl-2-oxo-ethyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(1-cyclohexyloxy-1-oxopropan-2-yl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1-cyclohexyloxy-1-oxopropan-2-yl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[2-(cyclohexoxy)-2-keto-1-methyl-ethyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H35NO5S MolecularWeight: 497.6462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C)C(=O)OC3CCCCC3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)C(C)C(=O)OC3CCCCC3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C28H35NO5S/c1-18-9-7-8-12-22(18)24-17-20(19(2)28(33)34-21-10-5-4-6-11-21)13-14-23(24)26(30)29-25(27(31)32)15-16-35-3/h7-9,12-14,17,19,21,25H,4-6,10-11,15-16H2,1-3H3,(H,29,30)(H,31,32)