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

Systemtic Name: 2-[[4-[(1-cyclohexyl-3-propan-2-yloxy-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(cyclohexylmethyl)-2-isopropoxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1-cyclohexyl-3-propan-2-yloxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclohexyl-3-propan-2-yloxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)-2-isopropoxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C32H45NO5S MolecularWeight: 555.7684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H45NO5S/c1-22(2)37-21-26(18-24-11-6-5-7-12-24)38-20-25-14-15-28(29(19-25)27-13-9-8-10-23(27)3)31(34)33-30(32(35)36)16-17-39-4/h8-10,13-15,19,22,24,26,30H,5-7,11-12,16-18,20-21H2,1-4H3,(H,33,34)(H,35,36)