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

Systemtic Name: 2-[[5-ethyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-ethyl-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-ethyl-2-(2-methylphenyl)-4-(3-pyridinyloxymethyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-ethyl-2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-ethyl-2-(o-tolyl)-4-(3-pyridyloxymethyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C)COC3=CN=CC=C3

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C)COC3=CN=CC=C3

InChI

InChI=1S/C27H30N2O4S/c1-4-19-14-24(26(30)29-25(27(31)32)11-13-34-3)23(22-10-6-5-8-18(22)2)15-20(19)17-33-21-9-7-12-28-16-21/h5-10,12,14-16,25H,4,11,13,17H2,1-3H3,(H,29,30)(H,31,32)