sodium (2R,3S)-3-carboxy-1-(phenylcarbonyl)piperazine-2-carboxylate

Systemtic Name: sodium (2R,3S)-3-carboxy-1-(phenylcarbonyl)piperazine-2-carboxylate Openeye Name: sodium (2R,3S)-1-benzoyl-3-carboxy-piperazine-2-carboxylate CAS Name: sodium (2R,3S)-1-benzoyl-3-carboxy-2-piperazinecarboxylate IUPAC Name: sodium (2R,3S)-1-benzoyl-3-carboxypiperazine-2-carboxylate Traditional Name: sodium (2R,3S)-1-benzoyl-3-carboxy-piperazine-2-carboxylate Formula: C13H13N2NaO5 MolecularWeight: 300.24249

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(N1)C(=O)O)C(=O)[O-])C(=O)C2=CC=CC=C2.[Na+]

Isomeric SMILES

C1CN([C@H]([C@H](N1)C(=O)O)C(=O)[O-])C(=O)C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C13H14N2O5.Na/c16-11(8-4-2-1-3-5-8)15-7-6-14-9(12(17)18)10(15)13(19)20;/h1-5,9-10,14H,6-7H2,(H,17,18)(H,19,20);/q;+1/p-1/t9-,10+;/m0./s1