2-azanyl-3-[2-(2-ethanoylsulfanylethanoyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[2-(2-ethanoylsulfanylethanoyl)phenyl]propanoic acid Openeye Name: 3-[2-(2-acetylsulfanylacetyl)phenyl]-2-amino-propanoic acid CAS Name: 3-[2-[2-(acetylthio)-1-oxoethyl]phenyl]-2-aminopropanoic acid IUPAC Name: 3-[2-(2-acetylsulfanylacetyl)phenyl]-2-aminopropanoic acid Traditional Name: 3-[2-[2-(acetylthio)acetyl]phenyl]-2-amino-propionic acid Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C1=CC=CC=C1CC(C(=O)O)N

Isomeric SMILES

CC(=O)SCC(=O)C1=CC=CC=C1CC(C(=O)O)N

InChI

InChI=1S/C13H15NO4S/c1-8(15)19-7-12(16)10-5-3-2-4-9(10)6-11(14)13(17)18/h2-5,11H,6-7,14H2,1H3,(H,17,18)