3-oxidanyl-2-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]propanoate

Systemtic Name: 3-oxidanyl-2-[(5-oxidanylpyridin-1-ium-3-yl)carbonylamino]propanoate Openeye Name: 3-hydroxy-2-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]propanoate CAS Name: 3-hydroxy-2-[[(5-hydroxy-3-pyridin-1-iumyl)-oxomethyl]amino]propanoate IUPAC Name: 3-hydroxy-2-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]propanoate Traditional Name: 3-hydroxy-2-[(5-hydroxypyridin-1-ium-3-carbonyl)amino]propionate Formula: C9H10N2O5 MolecularWeight: 226.1861

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=[NH+]C=C1O)C(=O)NC(CO)C(=O)[O-]

Isomeric SMILES

C1=C(C=[NH+]C=C1O)C(=O)NC(CO)C(=O)[O-]

InChI

InChI=1S/C9H10N2O5/c12-4-7(9(15)16)11-8(14)5-1-6(13)3-10-2-5/h1-3,7,12-13H,4H2,(H,11,14)(H,15,16)