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

Systemtic Name: 3-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid Openeye Name: 3-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid CAS Name: 3-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]butanoic acid IUPAC Name: 3-[2-(1,2,4-triazol-1-yl)propanoylamino]butanoic acid Traditional Name: 3-[2-(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)C(C)N1C=NC=N1

Isomeric SMILES

CC(CC(=O)O)NC(=O)C(C)N1C=NC=N1

InChI

InChI=1S/C9H14N4O3/c1-6(3-8(14)15)12-9(16)7(2)13-5-10-4-11-13/h4-7H,3H2,1-2H3,(H,12,16)(H,14,15)