Phenylmethyl N-[(2S)-1-Oxo-1-[[(2S)-1-Oxo-1-[[(2S)-1-[(2S)-4,4,4-Trifluoro-3-Oxo-1-Phenylbutan-2-Yl]Pyrrolidine-2-Carbonyl]Amino]Propan-2-Yl]Amino]Propan-2-Yl]Carbamate
[CAS# 152551-55-8]

Identification

• Name: Phenylmethyl N-[(2S)-1-Oxo-1-[[(2S)-1-Oxo-1-[[(2S)-1-[(2S)-4,4,4-Trifluoro-3-Oxo-1-Phenylbutan-2-Yl]Pyrrolidine-2-Carbonyl]Amino]Propan-2-Yl]Amino]Propan-2-Yl]Carbamate
• Synonyms: Phenylmethyl N-[(1S)-1-Methyl-2-[[(1S)-1-Methyl-2-Oxo-2-[[(2S)-1-[(1S)-3,3,3-Trifluoro-2-Oxo-1-(Phenylmethyl)Propyl]Pyrrolidine-2-Carbonyl]Amino]Ethyl]Amino]-2-Oxo-Ethyl]Carbamate; N-[(1S)-1-Methyl-2-[[(1S)-1-Methyl-2-Oxo-2-[[Oxo-[(2S)-1-[(1S)-3,3,3-Trifluoro-2-Oxo-1-(Phenylmethyl)Propyl]-2-Pyrrolidinyl]Methyl]Amino]Ethyl]Amino]-2-Oxoethyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-2-[[(1S)-2-[[(2S)-1-[(1S)-1-(Benzyl)-3,3,3-Trifluoro-2-Keto-Propyl]Pyrrolidine-2-Carbonyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₂₉H₃₃F₃N₄O₆
• Molecular Weight: 590.60
• CAS Registry Number: 152551-55-8
• SMILES: [C@H]2(C(=O)NC([C@@H](NC([C@@H](NC(=O)OCC1=CC=CC=C1)C)=O)C)=O)N(CCC2)[C@H](C(C(F)(F)F)=O)CC3=CC=CC=C3
• InChI: 1S/C29H33F3N4O6/c1-18(33-25(38)19(2)34-28(41)42-17-21-12-7-4-8-13-21)26(39)35-27(40)22-14-9-15-36(22)23(24(37)29(30,31)32)16-20-10-5-3-6-11-20/h3-8,10-13,18-19,22-23H,9,14-17H2,1-2H3,(H,33,38)(H,34,41)(H,35,39,40)/t18-,19-,22-,23-/m0/s1
• InChIKey: ZRJHXSVRRCBNIQ-ZZTDLJEGSA-N

Properties

• Density: 1.298g/cm³ (Cal.)
• Boiling point: 748.448°C at 760 mmHg (Cal.)
• Flash point: 406.447°C (Cal.)