N-Acetyl-S-[[5,8-Dihydro-1-Hydroxy-7-(Hydroxymethyl)-3-Methoxy-5,8-Dioxonaphthalen-2-Yl]Methyl]-L-Cysteine
[CAS# 91776-44-2]

Identification

• Name: N-Acetyl-S-[[5,8-Dihydro-1-Hydroxy-7-(Hydroxymethyl)-3-Methoxy-5,8-Dioxonaphthalen-2-Yl]Methyl]-L-Cysteine
• Synonyms: (2R)-2-Acetamido-3-[[1-Hydroxy-7-(Hydroxymethyl)-3-Methoxy-5,8-Dioxo-2-Naphthyl]Methylsulfanyl]Propanoic Acid; (2R)-2-Acetamido-3-[[1-Hydroxy-7-(Hydroxymethyl)-3-Methoxy-5,8-Dioxo-2-Naphthyl]Methylthio]Propanoic Acid; (2R)-2-Acetamido-3-[(1-Hydroxy-5,8-Dike
• Molecular Formula: C₁₈H₁₉NO₈S
• Molecular Weight: 409.41
• CAS Registry Number: 91776-44-2
• SMILES: [C@H](NC(=O)C)(CSCC1=C(OC)C=C2C(=C1O)C(=O)C(=CC2=O)CO)C(=O)O
• InChI: 1S/C18H19NO8S/c1-8(21)19-12(18(25)26)7-28-6-11-14(27-2)4-10-13(22)3-9(5-20)16(23)15(10)17(11)24/h3-4,12,20,24H,5-7H2,1-2H3,(H,19,21)(H,25,26)/t12-/m0/s1
• InChIKey: XMGJRXDFMZYRQG-LBPRGKRZSA-N

Properties

• Density: 1.487g/cm³ (Cal.)
• Boiling point: 838.456°C at 760 mmHg (Cal.)
• Flash point: 460.882°C (Cal.)