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

Systemtic Name: 3-phenyl-3-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid Openeye Name: 3-phenyl-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]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[2-(1,2,4-triazol-1-yl)propanoylamino]propanoic acid Traditional Name: 3-phenyl-3-[2-(1,2,4-triazol-1-yl)propanoylamino]propionic acid Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)O)C1=CC=CC=C1)N2C=NC=N2

Isomeric SMILES

CC(C(=O)NC(CC(=O)O)C1=CC=CC=C1)N2C=NC=N2

InChI

InChI=1S/C14H16N4O3/c1-10(18-9-15-8-16-18)14(21)17-12(7-13(19)20)11-5-3-2-4-6-11/h2-6,8-10,12H,7H2,1H3,(H,17,21)(H,19,20)