3-[[3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid

Systemtic Name: 3-[[3-methoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]sulfanylmethyl]-4-oxidanylidene-4-pyridin-3-yl-butanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-3-methoxy-3-oxo-propyl]sulfanylmethyl]-4-oxo-4-(3-pyridyl)butanoic acid CAS Name: 3-[[[3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]thio]methyl]-4-oxo-4-(3-pyridinyl)butanoic acid IUPAC Name: 3-[[3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]sulfanylmethyl]-4-oxo-4-pyridin-3-ylbutanoic acid Traditional Name: 3-[[[2-(benzyloxycarbonylamino)-3-keto-3-methoxy-propyl]thio]methyl]-4-keto-4-(3-pyridyl)butyric acid Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC(CC(=O)O)C(=O)C1=CN=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CSCC(CC(=O)O)C(=O)C1=CN=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O7S/c1-30-21(28)18(24-22(29)31-12-15-6-3-2-4-7-15)14-32-13-17(10-19(25)26)20(27)16-8-5-9-23-11-16/h2-9,11,17-18H,10,12-14H2,1H3,(H,24,29)(H,25,26)