sodium 2-[[(2S)-2-[(2-azidophenyl)carbonylamino]-3-methyl-butanoyl]amino]ethanoate

Systemtic Name: sodium 2-[[(2S)-2-[(2-azidophenyl)carbonylamino]-3-methyl-butanoyl]amino]ethanoate Openeye Name: sodium 2-[[(2S)-2-[(2-azidobenzoyl)amino]-3-methyl-butanoyl]amino]acetate CAS Name: sodium 2-[[(2S)-2-[[(2-azidophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]acetate IUPAC Name: sodium 2-[[(2S)-2-[(2-azidobenzoyl)amino]-3-methylbutanoyl]amino]acetate Traditional Name: sodium 2-[[(2S)-2-[(2-azidobenzoyl)amino]-3-methyl-butanoyl]amino]acetate Formula: C14H16N5NaO4 MolecularWeight: 341.29771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O4.Na/c1-8(2)12(14(23)16-7-11(20)21)17-13(22)9-5-3-4-6-10(9)18-19-15;/h3-6,8,12H,7H2,1-2H3,(H,16,23)(H,17,22)(H,20,21);/q;+1/p-1/t12-;/m0./s1