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

Systemtic Name: 3-(1,1-diphosphonoethylamino)-2-methyl-propanoic acid Openeye Name: 3-(1,1-diphosphonoethylamino)-2-methyl-propanoic acid CAS Name: 3-(1,1-diphosphonoethylamino)-2-methylpropanoic acid IUPAC Name: 3-(1,1-diphosphonoethylamino)-2-methylpropanoic acid Traditional Name: 3-(1,1-diphosphonoethylamino)-2-methyl-propionic acid Formula: C6H15NO8P2 MolecularWeight: 291.132722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(C)(P(=O)(O)O)P(=O)(O)O)C(=O)O

Isomeric SMILES

CC(CNC(C)(P(=O)(O)O)P(=O)(O)O)C(=O)O

InChI

InChI=1S/C6H15NO8P2/c1-4(5(8)9)3-7-6(2,16(10,11)12)17(13,14)15/h4,7H,3H2,1-2H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)