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

Systemtic Name: 3-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid Openeye Name: 3-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid CAS Name: 3-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]butanoic acid IUPAC Name: 3-[3-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid Traditional Name: 3-[3-(1,2,4-triazol-1-yl)propanoylamino]butyric acid Formula: C9H14N4O3 MolecularWeight: 226.23246

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CCN1C=NC=N1

Isomeric SMILES

CC(CC(=O)O)NC(=O)CCN1C=NC=N1

InChI

InChI=1S/C9H14N4O3/c1-7(4-9(15)16)12-8(14)2-3-13-6-10-5-11-13/h5-7H,2-4H2,1H3,(H,12,14)(H,15,16)