trisodium 2-[2-(methylamino)ethanoyl]butanedioate

Systemtic Name: trisodium 2-[2-(methylamino)ethanoyl]butanedioate Openeye Name: trisodium 2-[2-(methylamino)acetyl]butanedioate CAS Name: trisodium 2-[2-(methylamino)-1-oxoethyl]butanedioate IUPAC Name: trisodium 2-[2-(methylamino)acetyl]butanedioate Traditional Name: trisodium 2-sarcosylsuccinate Formula: C21H27N3Na3O15-3 MolecularWeight: 630.41949

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Descriptors Computed from Structure

Canonical SMILES:

CNCC(=O)C(CC(=O)[O-])C(=O)[O-].CNCC(=O)C(CC(=O)[O-])C(=O)[O-].CNCC(=O)C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CNCC(=O)C(CC(=O)[O-])C(=O)[O-].CNCC(=O)C(CC(=O)[O-])C(=O)[O-].CNCC(=O)C(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/3C7H11NO5.3Na/c3*1-8-3-5(9)4(7(12)13)2-6(10)11;;;/h3*4,8H,2-3H2,1H3,(H,10,11)(H,12,13);;;/q;;;3*+1/p-6