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

Systemtic Name: 3-oxidanyl-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid Openeye Name: 3-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid CAS Name: 3-hydroxy-2-[[1-oxo-2-(1,2,4-triazol-1-yl)propyl]amino]propanoic acid IUPAC Name: 3-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid Traditional Name: 3-hydroxy-2-[2-(1,2,4-triazol-1-yl)propanoylamino]propionic acid Formula: C8H12N4O4 MolecularWeight: 228.20528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N4O4/c1-5(12-4-9-3-10-12)7(14)11-6(2-13)8(15)16/h3-6,13H,2H2,1H3,(H,11,14)(H,15,16)