2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]ethanoic acid; sodium; hydrate

Systemtic Name: 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]ethanoic acid; sodium; hydrate Openeye Name: 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid; sodium; hydrate CAS Name: 2-[[(E)-amino(phosphonoimino)methyl]-methylamino]acetic acid; sodium; hydrate IUPAC Name: 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid; sodium; hydrate Traditional Name: 2-[methyl-[(E)-N'-phosphonoamidino]amino]acetic acid; sodium; hydrate Formula: C4H12N3NaO6P MolecularWeight: 252.118111

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=NP(=O)(O)O)N.O.[Na]

Isomeric SMILES

CN(CC(=O)O)/C(=N/P(=O)(O)O)/N.O.[Na]

InChI

InChI=1S/C4H10N3O5P.Na.H2O/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;1H2