N-Acetyl-S-[(5,8-Dihydro-1-Hydroxy-3-Methoxy-7-Methyl-5,8-Dioxonaphthalen-2-Yl)Methyl]-L-Cysteine
[CAS# 91776-42-0]

Identification

• Name: N-Acetyl-S-[(5,8-Dihydro-1-Hydroxy-3-Methoxy-7-Methyl-5,8-Dioxonaphthalen-2-Yl)Methyl]-L-Cysteine
• Synonyms: (2R)-2-Acetamido-3-[(1-Hydroxy-3-Methoxy-7-Methyl-5,8-Dioxo-2-Naphthyl)Methylsulfanyl]Propanoic Acid; (2R)-2-Acetamido-3-[(1-Hydroxy-3-Methoxy-7-Methyl-5,8-Dioxo-2-Naphthyl)Methylthio]Propanoic Acid; (2R)-2-Acetamido-3-[(1-Hydroxy-5,8-Diketo-3-Methoxy-7-Met
• Molecular Formula: C₁₈H₁₉NO₇S
• Molecular Weight: 393.41
• CAS Registry Number: 91776-42-0
• SMILES: [C@@H](CSCC1=C(C=C2C(=C1O)C(C(=CC2=O)C)=O)OC)(NC(C)=O)C(O)=O
• InChI: 1S/C18H19NO7S/c1-8-4-13(21)10-5-14(26-3)11(17(23)15(10)16(8)22)6-27-7-12(18(24)25)19-9(2)20/h4-5,12,23H,6-7H2,1-3H3,(H,19,20)(H,24,25)/t12-/m0/s1
• InChIKey: FDDCAZRCTMQKHP-LBPRGKRZSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 770.623°C at 760 mmHg (Cal.)
• Flash point: 419.858°C (Cal.)