N-[N-Acetyl-4-[Bis(2-Chloroethyl)Amino]Phenylalanyl]Valine Ethyl Ester
[CAS# 13425-94-0]

Identification

• Name: N-[N-Acetyl-4-[Bis(2-Chloroethyl)Amino]Phenylalanyl]Valine Ethyl Ester
• Synonyms: Ethyl (2R)-2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]-3-Methyl-Butanoate; (2R)-2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxopropyl]Amino]-3-Methylbutanoic Acid Ethyl Ester; (2R)-2-[[2-Acetamido-3-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Propanoyl]Amino]-3-Methyl-Butyric Acid Ethyl Ester
• Molecular Formula: C₂₂H₃₃Cl₂N₃O₄
• Molecular Weight: 474.43
• CAS Registry Number: 13425-94-0
• SMILES: [C@@H](C(=O)OCC)(NC(C(CC1=CC=C(N(CCCl)CCCl)C=C1)NC(=O)C)=O)C(C)C
• InChI: 1S/C22H33Cl2N3O4/c1-5-31-22(30)20(15(2)3)26-21(29)19(25-16(4)28)14-17-6-8-18(9-7-17)27(12-10-23)13-11-24/h6-9,15,19-20H,5,10-14H2,1-4H3,(H,25,28)(H,26,29)/t19?,20-/m1/s1
• InChIKey: LGLLXTFYYXSARU-GFOWMXPYSA-N

Properties

• Density: 1.193g/cm³ (Cal.)
• Boiling point: 679.477°C at 760 mmHg (Cal.)
• Flash point: 364.735°C (Cal.)