2-[[4-[(1-cyclobutyloxy-3-cyclohexyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(1-cyclobutyloxy-3-cyclohexyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(cyclobutoxymethyl)-2-cyclohexyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1-cyclobutyloxy-3-cyclohexylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclobutyloxy-3-cyclohexylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(cyclobutoxymethyl)-2-cyclohexyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C33H45NO5S MolecularWeight: 567.7791

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)COC4CCC4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)COC4CCC4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C33H45NO5S/c1-23-9-6-7-14-28(23)30-20-25(15-16-29(30)32(35)34-31(33(36)37)17-18-40-2)21-38-27(22-39-26-12-8-13-26)19-24-10-4-3-5-11-24/h6-7,9,14-16,20,24,26-27,31H,3-5,8,10-13,17-19,21-22H2,1-2H3,(H,34,35)(H,36,37)