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

Systemtic Name: methyl 2-[[4-[(1-cyclohexyl-3-oxidanyl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[4-[[1-(cyclohexylmethyl)-2-hydroxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-[(1-cyclohexyl-3-hydroxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[4-[(1-cyclohexyl-3-hydroxypropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)-2-hydroxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C30H41NO5S MolecularWeight: 527.71524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H41NO5S/c1-21-9-7-8-12-25(21)27-18-23(20-36-24(19-32)17-22-10-5-4-6-11-22)13-14-26(27)29(33)31-28(15-16-37-3)30(34)35-2/h7-9,12-14,18,22,24,28,32H,4-6,10-11,15-17,19-20H2,1-3H3,(H,31,33)