trisodium 2-[[[(3S)-3-azanyl-4-oxidanidyl-4-oxidanylidene-butyl]-oxidanidyl-phosphoryl]methyl]-4-oxidanyl-butanoate

Systemtic Name: trisodium 2-[[[(3S)-3-azanyl-4-oxidanidyl-4-oxidanylidene-butyl]-oxidanidyl-phosphoryl]methyl]-4-oxidanyl-butanoate Openeye Name: trisodium 2-[[[(3S)-3-amino-4-oxido-4-oxo-butyl]-oxido-phosphoryl]methyl]-4-hydroxy-butanoate CAS Name: trisodium 2-[[[(3S)-3-amino-4-oxido-4-oxobutyl]-oxidophosphoryl]methyl]-4-hydroxybutanoate IUPAC Name: trisodium 2-[[[(3S)-3-amino-4-oxido-4-oxobutyl]-oxidophosphoryl]methyl]-4-hydroxybutanoate Traditional Name: trisodium 2-[[[(3S)-3-amino-4-keto-4-oxido-butyl]-oxido-phosphoryl]methyl]-4-hydroxy-butyrate Formula: C9H15NNa3O7P MolecularWeight: 349.160971

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Descriptors Computed from Structure

Canonical SMILES:

C(CO)C(CP(=O)(CCC(C(=O)[O-])N)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C(CP(=O)(CC(CCO)C(=O)[O-])[O-])[C@@H](C(=O)[O-])N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C9H18NO7P.3Na/c10-7(9(14)15)2-4-18(16,17)5-6(1-3-11)8(12)13;;;/h6-7,11H,1-5,10H2,(H,12,13)(H,14,15)(H,16,17);;;/q;3*+1/p-3/t6?,7-;;;/m0.../s1