Phenylmethyl N-[(2S)-1-[[(2S,5S)-3,3-Difluoro-5-[[(2S)-3-Methyl-2-(Phenylmethoxycarbonylamino)Butanoyl]Amino]-4-Oxo-1,6-Di(Phenyl)Hexan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamate
[CAS# 133038-85-4]

Identification

• Name: Phenylmethyl N-[(2S)-1-[[(2S,5S)-3,3-Difluoro-5-[[(2S)-3-Methyl-2-(Phenylmethoxycarbonylamino)Butanoyl]Amino]-4-Oxo-1,6-Di(Phenyl)Hexan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamate
• Synonyms: Phenylmethyl N-[(1S)-1-[[(1S,4S)-2,2-Difluoro-4-[[(2S)-3-Methyl-2-(Phenylmethoxycarbonylamino)Butanoyl]Amino]-3-Oxo-5-Phenyl-1-(Phenylmethyl)Pentyl]Carbamoyl]-2-Methyl-Propyl]Carbamate; N-[(1S)-1-[[[(1S,4S)-2,2-Difluoro-4-[[(2S)-3-Methyl-1-Oxo-2-[[Oxo-(Phenylmethoxy)Methyl]Amino]Butyl]Amino]-3-Oxo-5-Phenyl-1-(Phenylmethyl)Pentyl]Amino]-Oxomethyl]-2-Methylpropyl]Carbamic Acid Phenylmethyl Ester; N-[(1S)-1-[[(1S,4S)-1-(Benzyl)-4-[[(2S)-2-(Benzyloxycarbonylamino)-3-Methyl-Butanoyl]Amino]-2,2-Difluoro-3-Keto-5-Phenyl-Pentyl]Carbamoyl]-2-Methyl-Propyl]Carbamic Acid Benzyl Ester
• Molecular Formula: C₄₄H₅₀F₂N₄O₇
• Molecular Weight: 784.90
• CAS Registry Number: 133038-85-4
• SMILES: [C@H](C(C([C@@H](NC([C@@H](NC(=O)OCC1=CC=CC=C1)C(C)C)=O)CC2=CC=CC=C2)=O)(F)F)(NC([C@@H](NC(=O)OCC3=CC=CC=C3)C(C)C)=O)CC4=CC=CC=C4
• InChI: 1S/C44H50F2N4O7/c1-29(2)37(49-42(54)56-27-33-21-13-7-14-22-33)40(52)47-35(25-31-17-9-5-10-18-31)39(51)44(45,46)36(26-32-19-11-6-12-20-32)48-41(53)38(30(3)4)50-43(55)57-28-34-23-15-8-16-24-34/h5-24,29-30,35-38H,25-28H2,1-4H3,(H,47,52)(H,48,53)(H,49,54)(H,50,55)/t35-,36-,37-,38-/m0/s1
• InChIKey: YNCPFORRBHVPKK-ZQWQDMLBSA-N

Properties

• Density: 1.211g/cm³ (Cal.)
• Boiling point: 958.389°C at 760 mmHg (Cal.)
• Flash point: 533.414°C (Cal.)