(2R)-2-Amino-3-[(1Z,3Z)-4-[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Sulfanyl-1,2,3,4-Tetrachlorobuta-1,3-Dienyl]Sulfanylpropanoic Acid
[CAS# 115664-53-4]

Identification

• Name: (2R)-2-Amino-3-[(1Z,3Z)-4-[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Sulfanyl-1,2,3,4-Tetrachlorobuta-1,3-Dienyl]Sulfanylpropanoic Acid
• Synonyms: (2R)-2-Amino-3-[(1Z,3Z)-4-[(2R)-2-Amino-3-Hydroxy-3-Oxo-Propyl]Sulfanyl-1,2,3,4-Tetrachloro-Buta-1,3-Dienyl]Sulfanyl-Propanoic Acid; (2R)-2-Amino-3-[[(1Z,3Z)-4-[[(2R)-2-Amino-3-Hydroxy-3-Oxopropyl]Thio]-1,2,3,4-Tetrachlorobuta-1,3-Dienyl]Thio]Propanoic Acid; (2R)-2-Amino-3-[[(1Z,3Z)-4-[[(2R)-2-Amino-3-Hydroxy-3-Keto-Propyl]Thio]-1,2,3,4-Tetrachloro-Buta-1,3-Dienyl]Thio]Propionic Acid
• Molecular Formula: C₁₀H₁₂Cl₄N₂O₄S₂
• Molecular Weight: 430.15
• CAS Registry Number: 115664-53-4
• SMILES: [C@H](C(=O)O)(N)CSC(=C(\C(=C(\Cl)SC[C@@H](C(=O)O)N)Cl)Cl)/Cl
• InChI: 1S/C10H12Cl4N2O4S2/c11-5(7(13)21-1-3(15)9(17)18)6(12)8(14)22-2-4(16)10(19)20/h3-4H,1-2,15-16H2,(H,17,18)(H,19,20)/b7-5+,8-6+/t3-,4-/m0/s1
• InChIKey: JVHYQPPBPDCVPV-MGMDGDQGSA-N

Properties

• Density: 1.715g/cm³ (Cal.)
• Boiling point: 505.089°C at 760 mmHg (Cal.)
• Flash point: 259.269°C (Cal.)