calcium sodium 3,4-bis(azanyl)-3-(carboxymethyl)-4-(2-oxidanidyl-2-oxidanylidene-ethyl)hexanedioate

Systemtic Name: calcium sodium 3,4-bis(azanyl)-3-(carboxymethyl)-4-(2-oxidanidyl-2-oxidanylidene-ethyl)hexanedioate Openeye Name: calcium sodium 3,4-diamino-3-(carboxymethyl)-4-(2-oxido-2-oxo-ethyl)hexanedioate CAS Name: calcium sodium 3,4-diamino-3-(carboxymethyl)-4-(2-oxido-2-oxoethyl)hexanedioate IUPAC Name: calcium sodium 3,4-diamino-3-(carboxymethyl)-4-(2-oxido-2-oxoethyl)hexanedioate Traditional Name: calcium sodium 3,4-diamino-3-(carboxymethyl)-4-(2-keto-2-oxido-ethyl)adipate Formula: C10H13CaN2NaO8 MolecularWeight: 352.28659

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)C(CC(=O)[O-])(C(CC(=O)[O-])(CC(=O)[O-])N)N.[Na+].[Ca+2]

Isomeric SMILES

C(C(=O)O)C(CC(=O)[O-])(C(CC(=O)[O-])(CC(=O)[O-])N)N.[Na+].[Ca+2]

InChI

InChI=1S/C10H16N2O8.Ca.Na/c11-9(1-5(13)14,2-6(15)16)10(12,3-7(17)18)4-8(19)20;;/h1-4,11-12H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;+2;+1/p-3