2-azanyl-3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(5-phenylisoxazol-3-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(5-phenyl-3-isoxazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(5-phenylisoxazol-3-yl)methylthio]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSCC(C(=O)O)N

InChI

InChI=1S/C13H14N2O3S/c14-11(13(16)17)8-19-7-10-6-12(18-15-10)9-4-2-1-3-5-9/h1-6,11H,7-8,14H2,(H,16,17)