Phenylmethyl N-[(2S)-1-Oxo-1-[[(2S)-1-Oxo-1-[[(2S)-1-(1,1,1-Trifluoro-4-Methyl-2-Oxopentan-3-Yl)Pyrrolidine-2-Carbonyl]Amino]Propan-2-Yl]Amino]Propan-2-Yl]Carbamate
[CAS# 110407-54-0]

Identification

• Name: Phenylmethyl N-[(2S)-1-Oxo-1-[[(2S)-1-Oxo-1-[[(2S)-1-(1,1,1-Trifluoro-4-Methyl-2-Oxopentan-3-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-(3,3,3-Trifluoro-1-Isopropyl-2-Oxo-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-(3,3,3-Trifluoro-1-Isopropyl-2-Oxopropyl)-2-Pyrrolidinyl]Methyl]Amino]Ethyl]Amino]-2-Oxoethyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-2-Keto-2-[[(1S)-2-Keto-1-Methyl-2-[[(2S)-1-(3,3,3-Trifluoro-1-Isopropyl-2-Keto-Propyl)Pyrrolidine-2-Carbonyl]Amino]Ethyl]Amino]-1-Methyl-Ethyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₂₅H₃₃F₃N₄O₆
• Molecular Weight: 542.55
• CAS Registry Number: 110407-54-0
• SMILES: [C@@H]1(N(C(C(=O)C(F)(F)F)C(C)C)CCC1)C(=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(OCC2=CC=CC=C2)=O)C)C
• InChI: 1S/C25H33F3N4O6/c1-14(2)19(20(33)25(26,27)28)32-12-8-11-18(32)23(36)31-22(35)15(3)29-21(34)16(4)30-24(37)38-13-17-9-6-5-7-10-17/h5-7,9-10,14-16,18-19H,8,11-13H2,1-4H3,(H,29,34)(H,30,37)(H,31,35,36)/t15-,16-,18-,19?/m0/s1
• InChIKey: JWABUPSOVGPTKA-KUORQNNRSA-N

Properties

• Density: 1.268g/cm³ (Cal.)
• Boiling point: 694.253°C at 760 mmHg (Cal.)
• Flash point: 373.671°C (Cal.)