4-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate

Systemtic Name: 4-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate Openeye Name: 4-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate CAS Name: 4-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]butanoate IUPAC Name: 4-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoate Traditional Name: 4-[3-(1,2,4-triazol-1-yl)propanoylamino]butyrate Formula: C9H13N4O3- MolecularWeight: 225.22452

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C=N1)CCC(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1=NN(C=N1)CCC(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C9H14N4O3/c14-8(11-4-1-2-9(15)16)3-5-13-7-10-6-12-13/h6-7H,1-5H2,(H,11,14)(H,15,16)/p-1