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

Systemtic Name: 2-[[4-[(1-cyclohexyl-3-ethylsulfonyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(cyclohexylmethyl)-2-ethylsulfonyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1-cyclohexyl-3-ethylsulfonylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclohexyl-3-ethylsulfonylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)-2-esyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C31H43NO6S2 MolecularWeight: 589.80622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H43NO6S2/c1-4-40(36,37)21-25(18-23-11-6-5-7-12-23)38-20-24-14-15-27(28(19-24)26-13-9-8-10-22(26)2)30(33)32-29(31(34)35)16-17-39-3/h8-10,13-15,19,23,25,29H,4-7,11-12,16-18,20-21H2,1-3H3,(H,32,33)(H,34,35)