(2S)-N-[(2S)-2-[[(2S)-2-Acetamidopropanoyl]Amino]Propanoyl]-1-[(2S)-4-Chloro-3-Oxobutan-2-Yl]Pyrrolidine-2-Carboxamide
[CAS# 38104-40-4]

Identification

• Name: (2S)-N-[(2S)-2-[[(2S)-2-Acetamidopropanoyl]Amino]Propanoyl]-1-[(2S)-4-Chloro-3-Oxobutan-2-Yl]Pyrrolidine-2-Carboxamide
• Synonyms: (2S)-N-[(2S)-2-[[(2S)-2-Acetamidopropanoyl]Amino]Propanoyl]-1-[(1S)-3-Chloro-1-Methyl-2-Oxo-Propyl]Pyrrolidine-2-Carboxamide; (2S)-N-[(2S)-2-[[(2S)-2-Acetamido-1-Oxopropyl]Amino]-1-Oxopropyl]-1-[(1S)-3-Chloro-1-Methyl-2-Oxopropyl]-2-Pyrrolidinecarboxamide; (2S)-N-[(2S)-2-[[(2S)-2-Acetamidopropanoyl]Amino]Propanoyl]-1-[(1S)-3-Chloro-2-Keto-1-Methyl-Propyl]Pyrrolidine-2-Carboxamide
• Molecular Formula: C₁₇H₂₇ClN₄O₅
• Molecular Weight: 402.88
• CAS Registry Number: 38104-40-4
• SMILES: [C@H]1(C(=O)NC([C@@H](NC([C@@H](NC(=O)C)C)=O)C)=O)N(CCC1)[C@H](C(CCl)=O)C
• InChI: 1S/C17H27ClN4O5/c1-9(19-12(4)23)15(25)20-10(2)16(26)21-17(27)13-6-5-7-22(13)11(3)14(24)8-18/h9-11,13H,5-8H2,1-4H3,(H,19,23)(H,20,25)(H,21,26,27)/t9-,10-,11-,13-/m0/s1
• InChIKey: SHEWUCRQCFTSIN-ZPFDUUQYSA-N

Properties

• Density: 1.25g/cm³ (Cal.)
• Boiling point: 680.586°C at 760 mmHg (Cal.)
• Flash point: 365.405°C (Cal.)