2-[[2-(2-methylphenyl)-5-pentyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-5-pentyl-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-5-pentyl-4-(3-pyridyloxymethyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-5-pentyl-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-5-pentyl-4-(pyridin-3-yloxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-amyl-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C(=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C)COC3=CN=CC=C3

Isomeric SMILES

CCCCCC1=C(C=C(C(=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C)COC3=CN=CC=C3

InChI

InChI=1S/C30H36N2O4S/c1-4-5-6-11-22-17-27(29(33)32-28(30(34)35)14-16-37-3)26(25-13-8-7-10-21(25)2)18-23(22)20-36-24-12-9-15-31-19-24/h7-10,12-13,15,17-19,28H,4-6,11,14,16,20H2,1-3H3,(H,32,33)(H,34,35)