[[[5-[[4-[2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethoxy]-4-oxidanylidene-butanoyl]amino]pyridin-2-yl]amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[[5-[[4-[2-[4,5-bis(oxidanyl)-3-oxidanylidene-furan-2-yl]-2-oxidanyl-ethoxy]-4-oxidanylidene-butanoyl]amino]pyridin-2-yl]amino]-phosphono-methyl]phosphonic acid Openeye Name: [[[5-[[4-[2-(4,5-dihydroxy-3-oxo-2-furyl)-2-hydroxy-ethoxy]-4-oxo-butanoyl]amino]-2-pyridyl]amino]-phosphono-methyl]phosphonic acid CAS Name: [[[5-[[4-[2-(4,5-dihydroxy-3-oxo-2-furanyl)-2-hydroxyethoxy]-1,4-dioxobutyl]amino]-2-pyridinyl]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[[5-[[4-[2-(4,5-dihydroxy-3-oxofuran-2-yl)-2-hydroxyethoxy]-4-oxobutanoyl]amino]pyridin-2-yl]amino]-phosphonomethyl]phosphonic acid Traditional Name: [[[5-[[4-[2-(4,5-dihydroxy-3-keto-2-furyl)-2-hydroxy-ethoxy]-4-keto-butanoyl]amino]-2-pyridyl]amino]-phosphono-methyl]phosphonic acid Formula: C16H21N3O14P2 MolecularWeight: 541.297162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1NC(=O)CCC(=O)OCC(C2C(=O)C(=C(O2)O)O)O)NC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=NC=C1NC(=O)CCC(=O)OCC(C2C(=O)C(=C(O2)O)O)O)NC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C16H21N3O14P2/c20-8(14-12(23)13(24)15(25)33-14)6-32-11(22)4-3-10(21)18-7-1-2-9(17-5-7)19-16(34(26,27)28)35(29,30)31/h1-2,5,8,14,16,20,24-25H,3-4,6H2,(H,17,19)(H,18,21)(H2,26,27,28)(H2,29,30,31)