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

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]-2-(3-ethanoylsulfanylpropanoylamino)propanoic acid Openeye Name: 2-(3-acetylsulfanylpropanoylamino)-3-(3,4-dihydroxyphenyl)propanoic acid CAS Name: 2-[[3-(acetylthio)-1-oxopropyl]amino]-3-(3,4-dihydroxyphenyl)propanoic acid IUPAC Name: 2-(3-acetylsulfanylpropanoylamino)-3-(3,4-dihydroxyphenyl)propanoic acid Traditional Name: 2-[3-(acetylthio)propanoylamino]-3-(3,4-dihydroxyphenyl)propionic acid Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)NC(CC1=CC(=C(C=C1)O)O)C(=O)O

InChI

InChI=1S/C14H17NO6S/c1-8(16)22-5-4-13(19)15-10(14(20)21)6-9-2-3-11(17)12(18)7-9/h2-3,7,10,17-18H,4-6H2,1H3,(H,15,19)(H,20,21)