calcium 2-[(5-oxidanylpyridin-3-yl)carbonylamino]pentanedioic acid

Systemtic Name: calcium 2-[(5-oxidanylpyridin-3-yl)carbonylamino]pentanedioic acid Openeye Name: calcium 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid CAS Name: calcium 2-[[(5-hydroxy-3-pyridinyl)-oxomethyl]amino]pentanedioic acid IUPAC Name: calcium 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid Traditional Name: calcium 2-[(5-hydroxynicotinoyl)amino]glutaric acid Formula: C22H24CaN4O12+2 MolecularWeight: 576.52356

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NC=C1O)C(=O)NC(CCC(=O)O)C(=O)O.C1=C(C=NC=C1O)C(=O)NC(CCC(=O)O)C(=O)O.[Ca+2]

Isomeric SMILES

C1=C(C=NC=C1O)C(=O)NC(CCC(=O)O)C(=O)O.C1=C(C=NC=C1O)C(=O)NC(CCC(=O)O)C(=O)O.[Ca+2]

InChI

InChI=1S/2C11H12N2O6.Ca/c2*14-7-3-6(4-12-5-7)10(17)13-8(11(18)19)1-2-9(15)16;/h2*3-5,8,14H,1-2H2,(H,13,17)(H,15,16)(H,18,19);/q;;+2