2-[[4-(dibutylphosphorylmethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-(dibutylphosphorylmethyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-(dibutylphosphorylmethyl)-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-(dibutylphosphorylmethyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-(dibutylphosphorylmethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-(dibutylphosphorylmethyl)-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C28H40NO4PS MolecularWeight: 517.660261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCP(=O)(CCCC)CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

Isomeric SMILES

CCCCP(=O)(CCCC)CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C

InChI

InChI=1S/C28H40NO4PS/c1-5-7-16-34(33,17-8-6-2)20-22-13-14-24(25(19-22)23-12-10-9-11-21(23)3)27(30)29-26(28(31)32)15-18-35-4/h9-14,19,26H,5-8,15-18,20H2,1-4H3,(H,29,30)(H,31,32)