2,5-S,S-Dicysteinyldopa
[CAS# 57954-84-4]

Identification

• Name: 2,5-S,S-Dicysteinyldopa
• Synonyms: (2S)-2-Amino-3-[2,5-Bis[[(2R)-2-Amino-3-Hydroxy-3-Oxo-Propyl]Sulfanyl]-3,4-Dihydroxy-Phenyl]Propanoic Acid; (2S)-2-Amino-3-[2,5-Bis[[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Thio]-3,4-Dihydroxyphenyl]Propanoic Acid; (2S)-2-Amino-3-[2,5-Bis[[(2R)-2-Amino-3-Hydroxy-3-Keto-Propyl]Thio]-3,4-Dihydroxy-Phenyl]Propionic Acid
• Molecular Formula: C₁₅H₂₁N₃O₈S₂
• Molecular Weight: 435.47
• CAS Registry Number: 57954-84-4
• SMILES: [C@H](N)(CC1=C(SC[C@H](N)C(=O)O)C(=C(O)C(=C1)SC[C@H](N)C(=O)O)O)C(=O)O
• InChI: 1S/C15H21N3O8S2/c16-6(13(21)22)1-5-2-9(27-3-7(17)14(23)24)10(19)11(20)12(5)28-4-8(18)15(25)26/h2,6-8,19-20H,1,3-4,16-18H2,(H,21,22)(H,23,24)(H,25,26)/t6-,7-,8-/m0/s1
• InChIKey: PYGLBYQINHTALU-FXQIFTODSA-N

Properties

• Density: 1.713g/cm³ (Cal.)
• Boiling point: 718.199°C at 760 mmHg (Cal.)
• Flash point: 388.153°C (Cal.)