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

Systemtic Name: (3S)-3-phenyl-3-[2-(1,2,4-triazol-1-yl)ethanoylamino]propanoate Openeye Name: (3S)-3-phenyl-3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate CAS Name: (3S)-3-[[1-oxo-2-(1,2,4-triazol-1-yl)ethyl]amino]-3-phenylpropanoate IUPAC Name: (3S)-3-phenyl-3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanoate Traditional Name: (3S)-3-phenyl-3-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propionate Formula: C13H13N4O3- MolecularWeight: 273.26732

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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@H](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)/p-1/t11-/m0/s1