2-[[oxidanyl-[1-(6-phosphonooxyhexanoylamino)ethyl]phosphoryl]methyl]pentanedioic acid

Systemtic Name: 2-[[oxidanyl-[1-(6-phosphonooxyhexanoylamino)ethyl]phosphoryl]methyl]pentanedioic acid Openeye Name: 2-[[hydroxy-[1-(6-phosphonooxyhexanoylamino)ethyl]phosphoryl]methyl]pentanedioic acid CAS Name: 2-[[hydroxy-[1-[(1-oxo-6-phosphonooxyhexyl)amino]ethyl]phosphoryl]methyl]pentanedioic acid IUPAC Name: 2-[[hydroxy-[1-(6-phosphonooxyhexanoylamino)ethyl]phosphoryl]methyl]pentanedioic acid Traditional Name: 2-[[hydroxy-[1-(6-phosphonooxyhexanoylamino)ethyl]phosphoryl]methyl]glutaric acid Formula: C14H27NO11P2 MolecularWeight: 447.311802

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)CCCCCOP(=O)(O)O)P(=O)(CC(CCC(=O)O)C(=O)O)O

Isomeric SMILES

CC(NC(=O)CCCCCOP(=O)(O)O)P(=O)(CC(CCC(=O)O)C(=O)O)O

InChI

InChI=1S/C14H27NO11P2/c1-10(15-12(16)5-3-2-4-8-26-28(23,24)25)27(21,22)9-11(14(19)20)6-7-13(17)18/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H2,23,24,25)