[[[4-[[4-oxidanylidene-4-[(2S)-2-oxidanyl-2-[3,4,5-tris(oxidanylidene)oxolan-2-yl]ethoxy]butanoyl]amino]phenyl]amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[[4-[[4-oxidanylidene-4-[(2S)-2-oxidanyl-2-[3,4,5-tris(oxidanylidene)oxolan-2-yl]ethoxy]butanoyl]amino]phenyl]amino]-phosphono-methyl]phosphonic acid Openeye Name: [[4-[[4-[(2S)-2-hydroxy-2-(3,4,5-trioxotetrahydrofuran-2-yl)ethoxy]-4-oxo-butanoyl]amino]anilino]-phosphono-methyl]phosphonic acid CAS Name: [[4-[[4-[(2S)-2-hydroxy-2-(3,4,5-trioxo-2-oxolanyl)ethoxy]-1,4-dioxobutyl]amino]anilino]-phosphonomethyl]phosphonic acid IUPAC Name: [[4-[[4-[(2S)-2-hydroxy-2-(3,4,5-trioxooxolan-2-yl)ethoxy]-4-oxobutanoyl]amino]anilino]-phosphonomethyl]phosphonic acid Traditional Name: [[4-[[4-[(2S)-2-hydroxy-2-(3,4,5-triketotetrahydrofuran-2-yl)ethoxy]-4-keto-butanoyl]amino]anilino]-phosphono-methyl]phosphonic acid Formula: C17H20N2O14P2 MolecularWeight: 538.293222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1NC(P(=O)(O)O)P(=O)(O)O)NC(=O)CCC(=O)OC[C@@H](C2C(=O)C(=O)C(=O)O2)O

InChI

InChI=1S/C17H20N2O14P2/c20-10(15-13(23)14(24)16(25)33-15)7-32-12(22)6-5-11(21)18-8-1-3-9(4-2-8)19-17(34(26,27)28)35(29,30)31/h1-4,10,15,17,19-20H,5-7H2,(H,18,21)(H2,26,27,28)(H2,29,30,31)/t10-,15?/m0/s1