(3S)-3-(1,2-oxazol-5-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: (3S)-3-(1,2-oxazol-5-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: (3S)-3-(isoxazole-5-carbonylamino)-3-phenyl-propanoate CAS Name: (3S)-3-[[5-isoxazolyl(oxo)methyl]amino]-3-phenylpropanoate IUPAC Name: (3S)-3-(1,2-oxazole-5-carbonylamino)-3-phenylpropanoate Traditional Name: (3S)-3-(isoxazole-5-carbonylamino)-3-phenyl-propionate Formula: C13H11N2O4- MolecularWeight: 259.23744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)[O-])NC(=O)C2=CC=NO2

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)[O-])NC(=O)C2=CC=NO2

InChI

InChI=1S/C13H12N2O4/c16-12(17)8-10(9-4-2-1-3-5-9)15-13(18)11-6-7-14-19-11/h1-7,10H,8H2,(H,15,18)(H,16,17)/p-1/t10-/m0/s1