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

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

Isomeric SMILES

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

InChI

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