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

Systemtic Name: 3-phenyl-3-[2-(1,2,4-triazol-1-yl)ethanoylamino]propanoic acid Openeye Name: 3-phenyl-3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid CAS Name: 3-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoic acid Traditional Name: 3-phenyl-3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propionic acid Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CN2C=NC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CN2C=NC=N2

InChI

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