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

Systemtic Name: 2-[[4-[(1-butoxy-3-cyclohexyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(butoxymethyl)-2-cyclohexyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1-butoxy-3-cyclohexylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-butoxy-3-cyclohexylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(butoxymethyl)-2-cyclohexyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C33H47NO5S MolecularWeight: 569.79498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47NO5S/c1-4-5-18-38-23-27(20-25-12-7-6-8-13-25)39-22-26-15-16-29(30(21-26)28-14-10-9-11-24(28)2)32(35)34-31(33(36)37)17-19-40-3/h9-11,14-16,21,25,27,31H,4-8,12-13,17-20,22-23H2,1-3H3,(H,34,35)(H,36,37)