(2S)-2-[[(2S)-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Propanoyl]Amino]Pentanoic Acid
[CAS# 38232-20-1]

Identification

• Name: (2S)-2-[[(2S)-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Propanoyl]Amino]Pentanoic Acid
• Synonyms: (2S)-2-[[(2S)-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxo-2-[[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]Amino]Propyl]Amino]Pentanoic Acid; (2S)-2-[[(2S)-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]-2-(Prolylamino)Propanoyl]Amino]Valeric Acid; (2S)-2-[[(2S)-3-[3-[Bis(2-Chloroethyl)Amino]Phenyl]-2-[[(2S)-Pyrrolidin-2-Yl]Carbonylamino]Propanoyl]Amino]Pentanoic Acid
• Molecular Formula: C₂₃H₃₄Cl₂N₄O₄
• Molecular Weight: 501.45
• CAS Registry Number: 38232-20-1
• SMILES: [C@H](C(=O)O)(NC([C@@H](NC([C@H]1NCCC1)=O)CC2=CC=CC(=C2)N(CCCl)CCCl)=O)CCC
• InChI: 1S/C23H34Cl2N4O4/c1-2-5-19(23(32)33)27-22(31)20(28-21(30)18-8-4-11-26-18)15-16-6-3-7-17(14-16)29(12-9-24)13-10-25/h3,6-7,14,18-20,26H,2,4-5,8-13,15H2,1H3,(H,27,31)(H,28,30)(H,32,33)/t18-,19-,20-/m0/s1
• InChIKey: CVOHDTBZTILHDL-UFYCRDLUSA-N

Properties

• Density: 1.266g/cm³ (Cal.)
• Boiling point: 800.634°C at 760 mmHg (Cal.)
• Flash point: 438.008°C (Cal.)