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

Systemtic Name: 2-[[4-[(1-cyclohexyl-3-methylsulfanyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(cyclohexylmethyl)-2-methylsulfanyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[1-cyclohexyl-3-(methylthio)propan-2-yl]oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclohexyl-3-methylsulfanylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)-2-(methylthio)ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H41NO4S2 MolecularWeight: 543.78084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41NO4S2/c1-21-9-7-8-12-25(21)27-18-23(19-35-24(20-37-3)17-22-10-5-4-6-11-22)13-14-26(27)29(32)31-28(30(33)34)15-16-36-2/h7-9,12-14,18,22,24,28H,4-6,10-11,15-17,19-20H2,1-3H3,(H,31,32)(H,33,34)