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

Systemtic Name: 2-[[4-[(1-cyclohexyl-3-phenylsulfanyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(cyclohexylmethyl)-2-phenylsulfanyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[1-cyclohexyl-3-(phenylthio)propan-2-yl]oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclohexyl-3-phenylsulfanylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)-2-(phenylthio)ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C35H43NO4S2 MolecularWeight: 605.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)CSC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)CSC4=CC=CC=C4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C35H43NO4S2/c1-25-11-9-10-16-30(25)32-22-27(17-18-31(32)34(37)36-33(35(38)39)19-20-41-2)23-40-28(21-26-12-5-3-6-13-26)24-42-29-14-7-4-8-15-29/h4,7-11,14-18,22,26,28,33H,3,5-6,12-13,19-21,23-24H2,1-2H3,(H,36,37)(H,38,39)