2-azanyl-3-(3,5-dideuterio-1,2,4-triazol-1-yl)propanoic acid

Systemtic Name: 2-azanyl-3-(3,5-dideuterio-1,2,4-triazol-1-yl)propanoic acid Openeye Name: 2-azanyl-3-(3,5-dideuterio-1,2,4-triazol-1-yl)propanoic acid CAS Name: 2-azanyl-3-(3,5-dideuterio-1,2,4-triazol-1-yl)propanoic acid IUPAC Name: 2-azanyl-3-(3,5-dideuterio-1,2,4-triazol-1-yl)propanoic acid Traditional Name: 2-azanyl-3-(3,5-dideuterio-1,2,4-triazol-1-yl)propionic acid Formula: C5H8N4O2 MolecularWeight: 159.148352

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN(C=N1)CC(C(=O)O)N

Isomeric SMILES

[2H]C1=NN(C(=N1)[2H])CC(C(=O)O)[15NH2]

InChI

InChI=1S/C5H8N4O2/c6-4(5(10)11)1-9-3-7-2-8-9/h2-4H,1,6H2,(H,10,11)/i2D,3D,6+1