Glutathionyldopa
[CAS# 55136-58-8]

Identification

• Name: Glutathionyldopa
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[5-[(2S)-2-Amino-3-Hydroxy-3-Oxo-Propyl]-2,3-Dihydroxy-Phenyl]Sulfanyl-Propanoyl]-(Carboxymethyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[[5-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]-2,3-Dihydroxyphenyl]Thio]-1-Oxopropyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[[5-[(2S)-2-Amino-3-Hydroxy-3-Keto-Propyl]-2,3-Dihydroxy-Phenyl]Thio]Propanoyl]-(Carboxymethyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₉H₂₆N₄O₁₀S
• Molecular Weight: 502.50
• CAS Registry Number: 55136-58-8
• SMILES: [C@@H](N)(C(=O)N(C(=O)CC[C@H](N)C(=O)O)CC(=O)O)CSC1=CC(=CC(=C1O)O)C[C@H](N)C(=O)O
• InChI: 1S/C19H26N4O10S/c20-9(18(30)31)1-2-14(25)23(6-15(26)27)17(29)11(22)7-34-13-5-8(3-10(21)19(32)33)4-12(24)16(13)28/h4-5,9-11,24,28H,1-3,6-7,20-22H2,(H,26,27)(H,30,31)(H,32,33)/t9-,10-,11-/m0/s1
• InChIKey: OLMDBOVNULDFIT-DCAQKATOSA-N

Properties

• Density: 1.646g/cm³ (Cal.)
• Boiling point: 842.395°C at 760 mmHg (Cal.)
• Flash point: 463.264°C (Cal.)