calcium (2S)-2-(2-phosphonoethanoylamino)butanedioate

Systemtic Name: calcium (2S)-2-(2-phosphonoethanoylamino)butanedioate Openeye Name: calcium (2S)-2-[(2-phosphonoacetyl)amino]butanedioate CAS Name: calcium (2S)-2-[(1-oxo-2-phosphonoethyl)amino]butanedioate IUPAC Name: calcium (2S)-2-[(2-phosphonoacetyl)amino]butanedioate Traditional Name: calcium (2S)-2-[(2-phosphonoacetyl)amino]succinate Formula: C6H8CaNO8P MolecularWeight: 293.181381

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)[O-])NC(=O)CP(=O)(O)O)C(=O)[O-].[Ca+2]

Isomeric SMILES

C([C@@H](C(=O)[O-])NC(=O)CP(=O)(O)O)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C6H10NO8P.Ca/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/p-2/t3-;/m0./s1