6-S-Cysteinyldopa
[CAS# 64003-39-0]

Identification

• Name: 6-S-Cysteinyldopa
• Synonyms: (2S)-2-Amino-3-[2-[(2R)-2-Amino-3-Hydroxy-3-Oxo-Propyl]Sulfanyl-4,5-Dihydroxy-Phenyl]Propanoic Acid; (2S)-2-Amino-3-[2-[[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Thio]-4,5-Dihydroxyphenyl]Propanoic Acid; (2S)-2-Amino-3-[2-[[(2R)-2-Amino-3-Hydroxy-3-Keto-Propyl]Thio]-4,5-Dihydroxy-Phenyl]Propionic Acid
• Molecular Formula: C₁₂H₁₆N₂O₆S
• Molecular Weight: 316.33
• CAS Registry Number: 64003-39-0
• SMILES: [C@H](N)(CC1=C(SC[C@H](N)C(=O)O)C=C(O)C(=C1)O)C(=O)O
• InChI: 1S/C12H16N2O6S/c13-6(11(17)18)1-5-2-8(15)9(16)3-10(5)21-4-7(14)12(19)20/h2-3,6-7,15-16H,1,4,13-14H2,(H,17,18)(H,19,20)/t6-,7-/m0/s1
• InChIKey: GPKIWIHPQUXQCW-BQBZGAKWSA-N

Properties

• Density: 1.632g/cm³ (Cal.)
• Boiling point: 633.151°C at 760 mmHg (Cal.)
• Flash point: 336.718°C (Cal.)