3-(1,1-diphosphonoethylamino)propanoic acid

Systemtic Name: 3-(1,1-diphosphonoethylamino)propanoic acid Openeye Name: 3-(1,1-diphosphonoethylamino)propanoic acid CAS Name: 3-(1,1-diphosphonoethylamino)propanoic acid IUPAC Name: 3-(1,1-diphosphonoethylamino)propanoic acid Traditional Name: 3-(1,1-diphosphonoethylamino)propionic acid Formula: C5H13NO8P2 MolecularWeight: 277.106142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NCCC(=O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(NCCC(=O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H13NO8P2/c1-5(15(9,10)11,16(12,13)14)6-3-2-4(7)8/h6H,2-3H2,1H3,(H,7,8)(H2,9,10,11)(H2,12,13,14)