2-[[4-methoxy-2,5-bis(oxidanyl)phenyl]methylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-methoxy-2,5-bis(oxidanyl)phenyl]methylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(2,5-dihydroxy-4-methoxy-phenyl)methylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[(2,5-dihydroxy-4-methoxyphenyl)methylamino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(2,5-dihydroxy-4-methoxyphenyl)methylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(2,5-dihydroxy-4-methoxy-benzyl)amino]-4-(methylthio)butyric acid Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)CNC(CCSC)C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)O)CNC(CCSC)C(=O)O)O

InChI

InChI=1S/C13H19NO5S/c1-19-12-6-10(15)8(5-11(12)16)7-14-9(13(17)18)3-4-20-2/h5-6,9,14-16H,3-4,7H2,1-2H3,(H,17,18)