(4S)-4-Amino-5-[(2R)-2-Amino-3-[(Z)-1,2-Dichloroethenyl]Sulfanylpropanoyl]Oxy-5-Oxopentanoic Acid
[CAS# 142678-05-5]

Identification

• Name: (4S)-4-Amino-5-[(2R)-2-Amino-3-[(Z)-1,2-Dichloroethenyl]Sulfanylpropanoyl]Oxy-5-Oxopentanoic Acid
• Synonyms: (4S)-4-Amino-5-[(2R)-2-Amino-3-[(Z)-1,2-Dichlorovinyl]Sulfanyl-Propanoyl]Oxy-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[(2R)-2-Amino-3-[[(Z)-1,2-Dichlorovinyl]Thio]-1-Oxopropoxy]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[(2R)-2-Amino-3-[[(Z)-1,2-Dichlorovinyl]Thio]Propanoyl]Oxy-5-Keto-Valeric Acid
• Molecular Formula: C₁₀H₁₄Cl₂N₂O₅S
• Molecular Weight: 345.20
• CAS Registry Number: 142678-05-5
• SMILES: [C@H](C(=O)OC([C@@H](N)CCC(=O)O)=O)(N)CSC(=C/Cl)/Cl
• InChI: 1S/C10H14Cl2N2O5S/c11-3-7(12)20-4-6(14)10(18)19-9(17)5(13)1-2-8(15)16/h3,5-6H,1-2,4,13-14H2,(H,15,16)/b7-3+/t5-,6-/m0/s1
• InChIKey: MNMCREGVBDLIDT-ZKNKFSEWSA-N

Properties

• Density: 1.52g/cm³ (Cal.)
• Boiling point: 503.681°C at 760 mmHg (Cal.)
• Flash point: 258.418°C (Cal.)