2-[[4-(1,3-dicyclohexylpropan-2-yloxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(1,3-dicyclohexylpropan-2-yloxymethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[2-cyclohexyl-1-(cyclohexylmethyl)ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(1,3-dicyclohexylpropan-2-yloxymethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(1,3-dicyclohexylpropan-2-yloxymethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[2-cyclohexyl-1-(cyclohexylmethyl)ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C35H49NO4S MolecularWeight: 579.83286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)CC4CCCCC4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)CC4CCCCC4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C35H49NO4S/c1-25-11-9-10-16-30(25)32-23-28(17-18-31(32)34(37)36-33(35(38)39)19-20-41-2)24-40-29(21-26-12-5-3-6-13-26)22-27-14-7-4-8-15-27/h9-11,16-18,23,26-27,29,33H,3-8,12-15,19-22,24H2,1-2H3,(H,36,37)(H,38,39)