5-azanyl-2-(3-azanyl-3,3-diphosphono-propyl)-5,5-diphosphono-pentanoic acid

Systemtic Name: 5-azanyl-2-(3-azanyl-3,3-diphosphono-propyl)-5,5-diphosphono-pentanoic acid Openeye Name: 5-amino-2-(3-amino-3,3-diphosphono-propyl)-5,5-diphosphono-pentanoic acid CAS Name: 5-amino-2-(3-amino-3,3-diphosphonopropyl)-5,5-diphosphonopentanoic acid IUPAC Name: 5-amino-2-(3-amino-3,3-diphosphonopropyl)-5,5-diphosphonopentanoic acid Traditional Name: 5-amino-2-(3-amino-3,3-diphosphono-propyl)-5,5-diphosphono-valeric acid Formula: C8H22N2O14P4 MolecularWeight: 494.160324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H22N2O14P4/c9-7(25(13,14)15,26(16,17)18)3-1-5(6(11)12)2-4-8(10,27(19,20)21)28(22,23)24/h5H,1-4,9-10H2,(H,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)