(2R)-2-Amino-3-[4-[(2R)-2-Amino-2-Carboxy-Ethyl]Sulfanyl-2,3,5,6-Tetrachloro-Phenyl]Sulfanyl-Propanoic Acid
[CAS# 81100-03-0]

Identification

• Name: (2R)-2-Amino-3-[4-[(2R)-2-Amino-2-Carboxy-Ethyl]Sulfanyl-2,3,5,6-Tetrachloro-Phenyl]Sulfanyl-Propanoic Acid
• Synonyms: (2R)-2-Amino-3-[4-[(2R)-2-Amino-3-Hydroxy-3-Oxo-Propyl]Sulfanyl-2,3,5,6-Tetrachloro-Phenyl]Sulfanyl-Propanoic Acid; (2R)-2-Amino-3-[[4-[[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Thio]-2,3,5,6-Tetrachlorophenyl]Thio]Propanoic Acid; (2R)-2-Amino-3-[[4-[[(2R)-2-Amino-3-Hydroxy-3-Keto-Propyl]Thio]-2,3,5,6-Tetrachloro-Phenyl]Thio]Propionic Acid
• Molecular Formula: C₁₂H₁₂Cl₄N₂O₄S₂
• Molecular Weight: 454.17
• CAS Registry Number: 81100-03-0
• SMILES: [C@H](C(=O)O)(N)CSC1=C(C(=C(C(=C1Cl)Cl)SC[C@@H](C(=O)O)N)Cl)Cl
• InChI: 1S/C12H12Cl4N2O4S2/c13-5-7(15)10(24-2-4(18)12(21)22)8(16)6(14)9(5)23-1-3(17)11(19)20/h3-4H,1-2,17-18H2,(H,19,20)(H,21,22)/t3-,4-/m0/s1
• InChIKey: KPMADTYCSBKGMF-IMJSIDKUSA-N

Properties

• Density: 1.764g/cm³ (Cal.)
• Boiling point: 582.567°C at 760 mmHg (Cal.)
• Flash point: 306.126°C (Cal.)