(2S)-2-acetamido-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-acetamido-N-[2-(3,4-dihydroxyphenyl)ethyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-acetamido-N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-acetamido-N-[2-(3,4-dihydroxyphenyl)ethyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-acetamido-N-[2-(3,4-dihydroxyphenyl)ethyl]-4-(methylthio)butyramide Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)NCCC1=CC(=C(C=C1)O)O

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)NCCC1=CC(=C(C=C1)O)O

InChI

InChI=1S/C15H22N2O4S/c1-10(18)17-12(6-8-22-2)15(21)16-7-5-11-3-4-13(19)14(20)9-11/h3-4,9,12,19-20H,5-8H2,1-2H3,(H,16,21)(H,17,18)/t12-/m0/s1