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

Systemtic Name: 2-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid Openeye Name: 2-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid CAS Name: 2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]propanoic acid IUPAC Name: 2-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid Traditional Name: 2-[3-(1,2,4-triazol-1-yl)propanoylamino]propionic acid Formula: C8H12N4O3 MolecularWeight: 212.20588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N4O3/c1-6(8(14)15)11-7(13)2-3-12-5-9-4-10-12/h4-6H,2-3H2,1H3,(H,11,13)(H,14,15)