3,4,5-tris(oxidanyl)-6-[(2-oxidanylidene-5-pyridin-4-yl-1H-pyridin-3-yl)amino]oxane-2-carboxylic acid

Systemtic Name: 3,4,5-tris(oxidanyl)-6-[(2-oxidanylidene-5-pyridin-4-yl-1H-pyridin-3-yl)amino]oxane-2-carboxylic acid Openeye Name: 3,4,5-trihydroxy-6-[[2-oxo-5-(4-pyridyl)-1H-pyridin-3-yl]amino]tetrahydropyran-2-carboxylic acid CAS Name: 3,4,5-trihydroxy-6-[(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)amino]-2-oxanecarboxylic acid IUPAC Name: 3,4,5-trihydroxy-6-[(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)amino]oxane-2-carboxylic acid Traditional Name: 3,4,5-trihydroxy-6-[[2-keto-5-(4-pyridyl)-1H-pyridin-3-yl]amino]tetrahydropyran-2-carboxylic acid Formula: C16H17N3O7 MolecularWeight: 363.32208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CNC(=O)C(=C2)NC3C(C(C(C(O3)C(=O)O)O)O)O

Isomeric SMILES

C1=CN=CC=C1C2=CNC(=O)C(=C2)NC3C(C(C(C(O3)C(=O)O)O)O)O

InChI

InChI=1S/C16H17N3O7/c20-10-11(21)13(16(24)25)26-15(12(10)22)19-9-5-8(6-18-14(9)23)7-1-3-17-4-2-7/h1-6,10-13,15,19-22H,(H,18,23)(H,24,25)