beta-Chloroalanyl-beta-Chloroalanyl-beta-Chloroalanine
[CAS# 103711-74-6]

Identification

• Name: beta-Chloroalanyl-beta-Chloroalanyl-beta-Chloroalanine
• Synonyms: (2R)-2-[[(2R)-2-[[(2S)-2-Amino-3-Chloro-Propanoyl]Amino]-3-Chloro-Propanoyl]Amino]-3-Chloro-Propanoic Acid; (2R)-2-[[(2R)-2-[[(2S)-2-Amino-3-Chloro-1-Oxopropyl]Amino]-3-Chloro-1-Oxopropyl]Amino]-3-Chloropropanoic Acid; (2R)-2-[[(2R)-2-[[(2S)-2-Amino-3-Chloro-Propanoyl]Amino]-3-Chloro-Propanoyl]Amino]-3-Chloro-Propionic Acid
• Molecular Formula: C₉H₁₄Cl₃N₃O₄
• Molecular Weight: 334.59
• CAS Registry Number: 103711-74-6
• SMILES: [C@@H](CCl)(NC([C@@H](NC(=O)[C@@H](CCl)N)CCl)=O)C(O)=O
• InChI: 1S/C9H14Cl3N3O4/c10-1-4(13)7(16)14-5(2-11)8(17)15-6(3-12)9(18)19/h4-6H,1-3,13H2,(H,14,16)(H,15,17)(H,18,19)/t4-,5+,6+/m1/s1
• InChIKey: OCPJWTOBPNWJLW-SRQIZXRXSA-N

Properties

• Density: 1.503g/cm³ (Cal.)
• Boiling point: 619.89°C at 760 mmHg (Cal.)
• Flash point: 328.698°C (Cal.)