2-azanyl-3-oxidanylidene-2-(sulfanylmethyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-2-(sulfanylmethyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid Openeye Name: 2-amino-3-oxo-2-(sulfanylmethyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid CAS Name: 2-amino-2-(mercaptomethyl)-3-oxo-3-(3,4,5-trimethoxyphenyl)propanoic acid IUPAC Name: 2-amino-3-oxo-2-(sulfanylmethyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid Traditional Name: 2-amino-3-keto-2-(mercaptomethyl)-3-(3,4,5-trimethoxyphenyl)propionic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)C(CS)(C(=O)O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)C(CS)(C(=O)O)N

InChI

InChI=1S/C13H17NO6S/c1-18-8-4-7(5-9(19-2)10(8)20-3)11(15)13(14,6-21)12(16)17/h4-5,21H,6,14H2,1-3H3,(H,16,17)