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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCN2C=CN=N2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)CCN2C=CN=N2

InChI

InChI=1S/C14H16N4O3/c19-13(6-8-18-9-7-15-17-18)16-12(14(20)21)10-11-4-2-1-3-5-11/h1-5,7,9,12H,6,8,10H2,(H,16,19)(H,20,21)