pentasodium 5-phosphonato-5-(2-phosphonatoethanoylamino)pentanoate

Systemtic Name: pentasodium 5-phosphonato-5-(2-phosphonatoethanoylamino)pentanoate Openeye Name: pentasodium 5-phosphonato-5-[(2-phosphonatoacetyl)amino]pentanoate CAS Name: pentasodium 5-[(1-oxo-2-phosphonatoethyl)amino]-5-phosphonatopentanoate IUPAC Name: pentasodium 5-phosphonato-5-[(2-phosphonatoacetyl)amino]pentanoate Traditional Name: pentasodium 5-phosphonato-5-[(2-phosphonatoacetyl)amino]valerate Formula: C7H10NNa5O9P2 MolecularWeight: 429.051972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15NO9P2.5Na/c9-5(4-18(12,13)14)8-6(19(15,16)17)2-1-3-7(10)11;;;;;/h6H,1-4H2,(H,8,9)(H,10,11)(H2,12,13,14)(H2,15,16,17);;;;;/q;5*+1/p-5