3-(1,1-diphosphonoethylamino)-2-oxidanyl-propanoic acid

Systemtic Name: 3-(1,1-diphosphonoethylamino)-2-oxidanyl-propanoic acid Openeye Name: 3-(1,1-diphosphonoethylamino)-2-hydroxy-propanoic acid CAS Name: 3-(1,1-diphosphonoethylamino)-2-hydroxypropanoic acid IUPAC Name: 3-(1,1-diphosphonoethylamino)-2-hydroxypropanoic acid Traditional Name: 3-(1,1-diphosphonoethylamino)-2-hydroxy-propionic acid Formula: C5H13NO9P2 MolecularWeight: 293.105542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NCC(C(=O)O)O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(NCC(C(=O)O)O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C5H13NO9P2/c1-5(16(10,11)12,17(13,14)15)6-2-3(7)4(8)9/h3,6-7H,2H2,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)