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

Systemtic Name: methyl 2-[[4-[(1-butylsulfanyl-3-cyclohexyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[[1-(butylsulfanylmethyl)-2-cyclohexyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[[1-(butylthio)-3-cyclohexylpropan-2-yl]oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-butylsulfanyl-3-cyclohexylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[[1-[(butylthio)methyl]-2-cyclohexyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C34H49NO4S2 MolecularWeight: 599.88716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H49NO4S2/c1-5-6-19-41-24-28(21-26-13-8-7-9-14-26)39-23-27-16-17-30(31(22-27)29-15-11-10-12-25(29)2)33(36)35-32(18-20-40-4)34(37)38-3/h10-12,15-17,22,26,28,32H,5-9,13-14,18-21,23-24H2,1-4H3,(H,35,36)