(2S)-2-Amino-5-[[(2R)-2-Amino-3-[(E)-1,2-Dichloro-3,3,3-Trifluoroprop-1-Enyl]Sulfanylpropanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
[CAS# 122652-97-5]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(E)-1,2-Dichloro-3,3,3-Trifluoroprop-1-Enyl]Sulfanylpropanoyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(2R)-2-Amino-3-[(E)-1,2-Dichloro-3,3,3-Trifluoro-Prop-1-Enyl]Sulfanyl-Propanoyl]-(Carboxymethyl)Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[[(E)-1,2-Dichloro-3,3,3-Trifluoroprop-1-Enyl]Thio]-1-Oxopropyl]-(Carboxymethyl)Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(2R)-2-Amino-3-[[(E)-1,2-Dichloro-3,3,3-Trifluoro-Prop-1-Enyl]Thio]Propanoyl]-(Carboxymethyl)Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₃H₁₆Cl₂F₃N₃O₆S
• Molecular Weight: 470.25
• CAS Registry Number: 122652-97-5
• SMILES: [C@H](C(N(CC(=O)O)C(CC[C@@H](C(=O)O)N)=O)=O)(N)CSC(=C(C(F)(F)F)\Cl)/Cl
• InChI: 1S/C13H16Cl2F3N3O6S/c14-9(13(16,17)18)10(15)28-4-6(20)11(25)21(3-8(23)24)7(22)2-1-5(19)12(26)27/h5-6H,1-4,19-20H2,(H,23,24)(H,26,27)/b10-9-/t5-,6-/m0/s1
• InChIKey: KDFMEOFBRCYNKT-BURXGOFRSA-N

Properties

• Density: 1.631g/cm³ (Cal.)
• Boiling point: 625.637°C at 760 mmHg (Cal.)
• Flash point: 332.173°C (Cal.)