(2S)-3-phenyl-2-[3-(1,2,3-triazol-1-yl)propanoylamino]propanoate

Systemtic Name: (2S)-3-phenyl-2-[3-(1,2,3-triazol-1-yl)propanoylamino]propanoate Openeye Name: (2S)-3-phenyl-2-[3-(triazol-1-yl)propanoylamino]propanoate CAS Name: (2S)-2-[[1-oxo-3-(1-triazolyl)propyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-3-phenyl-2-[3-(triazol-1-yl)propanoylamino]propanoate Traditional Name: (2S)-3-phenyl-2-[3-(triazol-1-yl)propanoylamino]propionate Formula: C14H15N4O3- MolecularWeight: 287.2939

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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)C[C@@H](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)/p-1/t12-/m0/s1