2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[3-[3,4-bis(oxidanyl)phenyl]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[3-(3,4-dihydroxyphenyl)-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[3-(3,4-dihydroxyphenyl)propanoylamino]-4-(methylthio)butyric acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)O)O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C14H19NO5S/c1-21-7-6-10(14(19)20)15-13(18)5-3-9-2-4-11(16)12(17)8-9/h2,4,8,10,16-17H,3,5-7H2,1H3,(H,15,18)(H,19,20)