2-(1-azanylbutyl)-2,4-diphosphono-pentanedioic acid

Systemtic Name: 2-(1-azanylbutyl)-2,4-diphosphono-pentanedioic acid Openeye Name: 2-(1-aminobutyl)-2,4-diphosphono-pentanedioic acid CAS Name: 2-(1-aminobutyl)-2,4-diphosphonopentanedioic acid IUPAC Name: 2-(1-aminobutyl)-2,4-diphosphonopentanedioic acid Traditional Name: 2-(1-aminobutyl)-2,4-diphosphono-glutaric acid Formula: C9H19NO10P2 MolecularWeight: 363.195382

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O)N

Isomeric SMILES

CCCC(C(CC(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O)N

InChI

InChI=1S/C9H19NO10P2/c1-2-3-6(10)9(8(13)14,22(18,19)20)4-5(7(11)12)21(15,16)17/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)