disodium (2S)-2-(2-phosphonatoethanoylamino)butanedioic acid

Systemtic Name: disodium (2S)-2-(2-phosphonatoethanoylamino)butanedioic acid Openeye Name: disodium (2S)-2-[(2-phosphonatoacetyl)amino]butanedioic acid CAS Name: disodium (2S)-2-[(1-oxo-2-phosphonatoethyl)amino]butanedioic acid IUPAC Name: disodium (2S)-2-[(2-phosphonatoacetyl)amino]butanedioic acid Traditional Name: disodium (2S)-2-[(2-phosphonatoacetyl)amino]succinic acid Formula: C6H8NNa2O8P MolecularWeight: 299.082921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)NC(=O)CP(=O)([O-])[O-])C(=O)O.[Na+].[Na+]

Isomeric SMILES

C([C@@H](C(=O)O)NC(=O)CP(=O)([O-])[O-])C(=O)O.[Na+].[Na+]

InChI

InChI=1S/C6H10NO8P.2Na/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15);;/q;2*+1/p-2/t3-;;/m0../s1