(2R)-2-phenyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethanoate

Systemtic Name: (2R)-2-phenyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]ethanoate Openeye Name: (2R)-2-phenyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]acetate CAS Name: (2R)-2-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]-2-phenylacetate IUPAC Name: (2R)-2-phenyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]acetate Traditional Name: (2R)-2-phenyl-2-[3-(1,2,4-triazol-1-yl)propanoylamino]acetate Formula: C13H13N4O3- MolecularWeight: 273.26732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])NC(=O)CCN2C=NC=N2

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)[O-])NC(=O)CCN2C=NC=N2

InChI

InChI=1S/C13H14N4O3/c18-11(6-7-17-9-14-8-15-17)16-12(13(19)20)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2,(H,16,18)(H,19,20)/p-1/t12-/m1/s1