2-[[4-[(1,3-dicyclohexyl-2-methyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(1,3-dicyclohexyl-2-methyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[2-cyclohexyl-1-(cyclohexylmethyl)-1-methyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1,3-dicyclohexyl-2-methylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1,3-dicyclohexyl-2-methylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[2-cyclohexyl-1-(cyclohexylmethyl)-1-methyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C36H51NO4S MolecularWeight: 593.85944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(C)(CC3CCCCC3)CC4CCCCC4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(C)(CC3CCCCC3)CC4CCCCC4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C36H51NO4S/c1-26-12-10-11-17-30(26)32-22-29(18-19-31(32)34(38)37-33(35(39)40)20-21-42-3)25-41-36(2,23-27-13-6-4-7-14-27)24-28-15-8-5-9-16-28/h10-12,17-19,22,27-28,33H,4-9,13-16,20-21,23-25H2,1-3H3,(H,37,38)(H,39,40)