sodium 2-[[(2S)-2-[(2-azidophenyl)carbonylamino]propanoyl]amino]ethanoate

Systemtic Name: sodium 2-[[(2S)-2-[(2-azidophenyl)carbonylamino]propanoyl]amino]ethanoate Openeye Name: sodium 2-[[(2S)-2-[(2-azidobenzoyl)amino]propanoyl]amino]acetate CAS Name: sodium 2-[[(2S)-2-[[(2-azidophenyl)-oxomethyl]amino]-1-oxopropyl]amino]acetate IUPAC Name: sodium 2-[[(2S)-2-[(2-azidobenzoyl)amino]propanoyl]amino]acetate Traditional Name: sodium 2-[[(2S)-2-[(2-azidobenzoyl)amino]propanoyl]amino]acetate Formula: C12H12N5NaO4 MolecularWeight: 313.24455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC(=O)[O-])NC(=O)C1=CC=CC=C1N=[N+]=[N-].[Na+]

Isomeric SMILES

C[C@@H](C(=O)NCC(=O)[O-])NC(=O)C1=CC=CC=C1N=[N+]=[N-].[Na+]

InChI

InChI=1S/C12H13N5O4.Na/c1-7(11(20)14-6-10(18)19)15-12(21)8-4-2-3-5-9(8)16-17-13;/h2-5,7H,6H2,1H3,(H,14,20)(H,15,21)(H,18,19);/q;+1/p-1/t7-;/m0./s1