Cysteinyldopa
[CAS# 19641-92-0]

Identification

• Name: Cysteinyldopa
• Synonyms: 2-Amino-3-[3-(2-Amino-3-Hydroxy-3-Oxo-Propyl)Sulfanyl-4,5-Dihydroxy-Phenyl]Propanoic Acid; 2-Amino-3-[3-[(2-Amino-3-Hydroxy-3-Oxopropyl)Thio]-4,5-Dihydroxyphenyl]Propanoic Acid; 2-Amino-3-[3-[(2-Amino-3-Hydroxy-3-Keto-Propyl)Thio]-4,5-Dihydroxy-Phenyl]Propionic Acid
• Molecular Formula: C₁₂H₁₆N₂O₆S
• Molecular Weight: 316.33
• CAS Registry Number: 19641-92-0
• SMILES: C1=C(C(=C(O)C=C1CC(C(O)=O)N)O)SCC(C(O)=O)N
• InChI: 1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)10(16)9(3-5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)
• InChIKey: SXISMOAILJWTID-UHFFFAOYSA-N

Properties

• Density: 1.632g/cm³ (Cal.)
• Boiling point: 599.872°C at 760 mmHg (Cal.)
• Flash point: 316.591°C (Cal.)