N-Acetyl-S-[(5,8-Dihydro-1-Hydroxy-3,6-Dimethoxy-7-Methyl-5,8-Dioxonaphthalen-2-Yl)Methyl]-L-Cysteine
[CAS# 91776-48-6]

Identification

• Name: N-Acetyl-S-[(5,8-Dihydro-1-Hydroxy-3,6-Dimethoxy-7-Methyl-5,8-Dioxonaphthalen-2-Yl)Methyl]-L-Cysteine
• Synonyms: (2R)-2-Acetamido-3-[(1-Hydroxy-3,6-Dimethoxy-7-Methyl-5,8-Dioxo-2-Naphthyl)Methylsulfanyl]Propanoic Acid; (2R)-2-Acetamido-3-[(1-Hydroxy-3,6-Dimethoxy-7-Methyl-5,8-Dioxo-2-Naphthyl)Methylthio]Propanoic Acid; (2R)-2-Acetamido-3-[(1-Hydroxy-5,8-Diketo-3,6-Dim
• Molecular Formula: C₁₉H₂₁NO₈S
• Molecular Weight: 423.44
• CAS Registry Number: 91776-48-6
• SMILES: [C@@H](CSCC1=C(C=C2C(=C1O)C(C(=C(C2=O)OC)C)=O)OC)(NC(C)=O)C(O)=O
• InChI: 1S/C19H21NO8S/c1-8-15(22)14-10(17(24)18(8)28-4)5-13(27-3)11(16(14)23)6-29-7-12(19(25)26)20-9(2)21/h5,12,23H,6-7H2,1-4H3,(H,20,21)(H,25,26)/t12-/m0/s1
• InChIKey: DGYGIAQKHJSFNM-LBPRGKRZSA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 789.078°C at 760 mmHg (Cal.)
• Flash point: 431.019°C (Cal.)