(3S)-3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoate

Systemtic Name: (3S)-3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoate Openeye Name: (3S)-3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoate CAS Name: (3S)-3-[[1-oxo-3-(1,2,4-triazol-1-yl)propyl]amino]-3-phenylpropanoate IUPAC Name: (3S)-3-phenyl-3-[3-(1,2,4-triazol-1-yl)propanoylamino]propanoate Traditional Name: (3S)-3-phenyl-3-[3-(1,2,4-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)C(CC(=O)[O-])NC(=O)CCN2C=NC=N2

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3/c19-13(6-7-18-10-15-9-16-18)17-12(8-14(20)21)11-4-2-1-3-5-11/h1-5,9-10,12H,6-8H2,(H,17,19)(H,20,21)/p-1/t12-/m0/s1