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

Systemtic Name: (3S)-3-phenyl-3-[2-(1,2,3,4-tetrazol-1-yl)ethanoylamino]propanoate Openeye Name: (3S)-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate CAS Name: (3S)-3-[[1-oxo-2-(1-tetrazolyl)ethyl]amino]-3-phenylpropanoate IUPAC Name: (3S)-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoate Traditional Name: (3S)-3-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propionate Formula: C12H12N5O3- MolecularWeight: 274.25538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)CN2C=NN=N2

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)CN2C=NN=N2

InChI

InChI=1S/C12H13N5O3/c18-11(7-17-8-13-15-16-17)14-10(6-12(19)20)9-4-2-1-3-5-9/h1-5,8,10H,6-7H2,(H,14,18)(H,19,20)/p-1/t10-/m0/s1