6-[[(2E)-2-cyano-2-(1,2,3-triazol-1-ylmethoxyimino)ethanoyl]carbamoylamino]hexanoic acid

Systemtic Name: 6-[[(2E)-2-cyano-2-(1,2,3-triazol-1-ylmethoxyimino)ethanoyl]carbamoylamino]hexanoic acid Openeye Name: 6-[[(2E)-2-cyano-2-(triazol-1-ylmethoxyimino)acetyl]carbamoylamino]hexanoic acid CAS Name: 6-[[[[(2E)-2-cyano-1-oxo-2-(1-triazolylmethoxyimino)ethyl]amino]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[(2E)-2-cyano-2-(triazol-1-ylmethoxyimino)acetyl]carbamoylamino]hexanoic acid Traditional Name: 6-[[(2E)-2-cyano-2-(triazol-1-ylmethyloximino)acetyl]carbamoylamino]hexanoic acid Formula: C13H17N7O5 MolecularWeight: 351.31798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=N1)CON=C(C#N)C(=O)NC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CN(N=N1)CO/N=C(\C#N)/C(=O)NC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H17N7O5/c14-8-10(18-25-9-20-7-6-16-19-20)12(23)17-13(24)15-5-3-1-2-4-11(21)22/h6-7H,1-5,9H2,(H,21,22)(H2,15,17,23,24)/b18-10+