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

Systemtic Name: 2-[[4-[(1-butylsulfanyl-3-cyclohexyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(butylsulfanylmethyl)-2-cyclohexyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[1-(butylthio)-3-cyclohexylpropan-2-yl]oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-butylsulfanyl-3-cyclohexylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-[(butylthio)methyl]-2-cyclohexyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C33H47NO4S2 MolecularWeight: 585.86058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H47NO4S2/c1-4-5-18-40-23-27(20-25-12-7-6-8-13-25)38-22-26-15-16-29(30(21-26)28-14-10-9-11-24(28)2)32(35)34-31(33(36)37)17-19-39-3/h9-11,14-16,21,25,27,31H,4-8,12-13,17-20,22-23H2,1-3H3,(H,34,35)(H,36,37)