(2S)-2-azanyl-3-[4-(4-hydroxyphenyl)-3-oxidanylidene-1,2-oxazol-5-yl]propanoic acid

Systemtic Name: (2S)-2-azanyl-3-[4-(4-hydroxyphenyl)-3-oxidanylidene-1,2-oxazol-5-yl]propanoic acid Openeye Name: (2S)-2-amino-3-[4-(4-hydroxyphenyl)-3-oxo-isoxazol-5-yl]propanoic acid CAS Name: (2S)-2-amino-3-[4-(4-hydroxyphenyl)-3-oxo-5-isoxazolyl]propanoic acid IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxyphenyl)-3-oxo-1,2-oxazol-5-yl]propanoic acid Traditional Name: (2S)-2-amino-3-[4-(4-hydroxyphenyl)-3-keto-4-isoxazolin-5-yl]propionic acid Formula: C12H12N2O5 MolecularWeight: 264.23408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(ONC2=O)CC(C(=O)O)N)O

Isomeric SMILES

C1=CC(=CC=C1C2=C(ONC2=O)C[C@@H](C(=O)O)N)O

InChI

InChI=1S/C12H12N2O5/c13-8(12(17)18)5-9-10(11(16)14-19-9)6-1-3-7(15)4-2-6/h1-4,8,15H,5,13H2,(H,14,16)(H,17,18)/t8-/m0/s1