4-oxidanylidene-3-[2-[2-[2-(phenylcarbonyloxymethyl)phenyl]ethanoylamino]ethylsulfanylmethyl]-4-pyridin-3-yl-butanoic acid

Systemtic Name: 4-oxidanylidene-3-[2-[2-[2-(phenylcarbonyloxymethyl)phenyl]ethanoylamino]ethylsulfanylmethyl]-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[2-[[2-[2-(benzoyloxymethyl)phenyl]acetyl]amino]ethylsulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[2-[[2-[2-(benzoyloxymethyl)phenyl]-1-oxoethyl]amino]ethylthio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[2-[[2-[2-(benzoyloxymethyl)phenyl]acetyl]amino]ethylsulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[2-[[2-[2-(benzoyloxymethyl)phenyl]acetyl]amino]ethylthio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C28H28N2O6S MolecularWeight: 520.59672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2CC(=O)NCCSCC(CC(=O)O)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2CC(=O)NCCSCC(CC(=O)O)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C28H28N2O6S/c31-25(15-21-9-4-5-10-23(21)18-36-28(35)20-7-2-1-3-8-20)30-13-14-37-19-24(16-26(32)33)27(34)22-11-6-12-29-17-22/h1-12,17,24H,13-16,18-19H2,(H,30,31)(H,32,33)