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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN1C=NC=N1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CN1C=NC=N1

InChI

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