3-[2-(2-azanyl-3-sulfanyl-propanoyl)oxyphenyl]propanoic acid

Systemtic Name: 3-[2-(2-azanyl-3-sulfanyl-propanoyl)oxyphenyl]propanoic acid Openeye Name: 3-[2-(2-amino-3-sulfanyl-propanoyl)oxyphenyl]propanoic acid CAS Name: 3-[2-(2-amino-3-mercapto-1-oxopropoxy)phenyl]propanoic acid IUPAC Name: 3-[2-(2-amino-3-sulfanylpropanoyl)oxyphenyl]propanoic acid Traditional Name: 3-[2-(2-amino-3-mercapto-propanoyl)oxyphenyl]propionic acid Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCC(=O)O)OC(=O)C(CS)N

Isomeric SMILES

C1=CC=C(C(=C1)CCC(=O)O)OC(=O)C(CS)N

InChI

InChI=1S/C12H15NO4S/c13-9(7-18)12(16)17-10-4-2-1-3-8(10)5-6-11(14)15/h1-4,9,18H,5-7,13H2,(H,14,15)