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

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

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

Isomeric SMILES

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

InChI

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