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

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)-5-thiophen-2-yl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-(3-pyridyloxymethyl)-5-(2-thienyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(3-pyridinyloxymethyl)-5-thiophen-2-ylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(pyridin-3-yloxymethyl)-5-thiophen-2-ylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-(3-pyridyloxymethyl)-5-(2-thienyl)benzoyl]amino]butyric acid Formula: C29H28N2O4S2 MolecularWeight: 532.67362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=C(C(=C2)COC3=CN=CC=C3)C4=CC=CS4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=C(C(=C2)COC3=CN=CC=C3)C4=CC=CS4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C29H28N2O4S2/c1-19-7-3-4-9-22(19)24-15-20(18-35-21-8-5-12-30-17-21)23(27-10-6-13-37-27)16-25(24)28(32)31-26(29(33)34)11-14-36-2/h3-10,12-13,15-17,26H,11,14,18H2,1-2H3,(H,31,32)(H,33,34)