2-[[4-[(E)-2-(5-methoxycarbonylpyridin-3-yl)ethenyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(E)-2-(5-methoxycarbonylpyridin-3-yl)ethenyl]-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(E)-2-(5-methoxycarbonyl-3-pyridyl)vinyl]-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(E)-2-(5-methoxycarbonyl-3-pyridinyl)ethenyl]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(E)-2-(5-methoxycarbonylpyridin-3-yl)ethenyl]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(E)-2-(5-carbomethoxy-3-pyridyl)vinyl]-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C27H26N2O5S MolecularWeight: 490.57074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=CC(=C1)C=CC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN=CC(=C1)/C=C/C2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C27H26N2O5S/c1-34-27(33)21-14-19(16-28-17-21)9-8-18-10-11-22(23(15-18)20-6-4-3-5-7-20)25(30)29-24(26(31)32)12-13-35-2/h3-11,14-17,24H,12-13H2,1-2H3,(H,29,30)(H,31,32)/b9-8+