disodium 2-[methyl-[(Z)-N'-phosphonatocarbamimidoyl]amino]ethanoic acid tetrahydrate

Systemtic Name: disodium 2-[methyl-[(Z)-N'-phosphonatocarbamimidoyl]amino]ethanoic acid tetrahydrate Openeye Name: disodium 2-[methyl-[(Z)-N'-phosphonatocarbamimidoyl]amino]acetic acid tetrahydrate CAS Name: disodium 2-[[(Z)-amino(phosphonatoimino)methyl]-methylamino]acetic acid tetrahydrate IUPAC Name: disodium 2-[methyl-[(Z)-N'-phosphonatocarbamimidoyl]amino]acetic acid tetrahydrate Traditional Name: disodium 2-[methyl-[(Z)-N'-phosphonatoamidino]amino]acetic acid tetrahydrate Formula: C4H16N3Na2O9P MolecularWeight: 327.137841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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