3-[3,4-bis(oxidanyl)phenyl]-2-(3-sulfanylpropanoylamino)propanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 3-(3,4-dihydroxyphenyl)-2-(3-sulfanylpropanoylamino)propanoic acid CAS Name: 3-(3,4-dihydroxyphenyl)-2-[(3-mercapto-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-(3,4-dihydroxyphenyl)-2-(3-sulfanylpropanoylamino)propanoic acid Traditional Name: 3-(3,4-dihydroxyphenyl)-2-(3-mercaptopropanoylamino)propionic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)CCS)O)O

Isomeric SMILES

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)CCS)O)O

InChI

InChI=1S/C12H15NO5S/c14-9-2-1-7(6-10(9)15)5-8(12(17)18)13-11(16)3-4-19/h1-2,6,8,14-15,19H,3-5H2,(H,13,16)(H,17,18)