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

Systemtic Name: 2-[[4-[(1-cyclohexyl-3-ethoxy-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(cyclohexylmethyl)-2-ethoxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1-cyclohexyl-3-ethoxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclohexyl-3-ethoxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)-2-ethoxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C31H43NO5S MolecularWeight: 541.74182

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCOCC(CC1CCCCC1)OCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C31H43NO5S/c1-4-36-21-25(18-23-11-6-5-7-12-23)37-20-24-14-15-27(28(19-24)26-13-9-8-10-22(26)2)30(33)32-29(31(34)35)16-17-38-3/h8-10,13-15,19,23,25,29H,4-7,11-12,16-18,20-21H2,1-3H3,(H,32,33)(H,34,35)