tetrasodium (2S)-2-(2-phosphonoethanoylamino)butanedioate

Systemtic Name: tetrasodium (2S)-2-(2-phosphonoethanoylamino)butanedioate Openeye Name: tetrasodium (2S)-2-[(2-phosphonoacetyl)amino]butanedioate CAS Name: tetrasodium (2S)-2-[(1-oxo-2-phosphonoethyl)amino]butanedioate IUPAC Name: tetrasodium (2S)-2-[(2-phosphonoacetyl)amino]butanedioate Traditional Name: tetrasodium (2S)-2-[(2-phosphonoacetyl)amino]succinate Formula: C6H8NNa4O8P+2 MolecularWeight: 345.062461

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+].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C6H10NO8P.4Na/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;4*+1/p-2/t3-;;;;/m0..../s1