Pyridin-2-Ylmethyl N-[(2S)-1-[[(2S,5S)-3,3-Difluoro-5-[[(2S)-3-Methyl-2-(Pyridin-2-Ylmethoxycarbonylamino)Butanoyl]Amino]-4-Oxo-1,6-Di(Phenyl)Hexan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamate
[CAS# 144162-27-6]

Identification

• Name: Pyridin-2-Ylmethyl N-[(2S)-1-[[(2S,5S)-3,3-Difluoro-5-[[(2S)-3-Methyl-2-(Pyridin-2-Ylmethoxycarbonylamino)Butanoyl]Amino]-4-Oxo-1,6-Di(Phenyl)Hexan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Carbamate
• Synonyms: 2-Pyridylmethyl N-[(1S)-1-[[(1S,4S)-2,2-Difluoro-4-[[(2S)-3-Methyl-2-(2-Pyridylmethoxycarbonylamino)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-(2-Pyridylmethoxy)Methyl]Amino]Butyl]Amino]-3-Oxo-5-Phenyl-1-(Phenylmethyl)Pentyl]Amino]-Oxomethyl]-2-Methylpropyl]Carbamic Acid 2-Pyridylmethyl Ester; N-[(1S)-1-[[(1S,4S)-1-(Benzyl)-2,2-Difluoro-3-Keto-4-[[(2S)-3-Methyl-2-(2-Pyridylmethoxycarbonylamino)Butanoyl]Amino]-5-Phenyl-Pentyl]Carbamoyl]-2-Methyl-Propyl]Carbamic Acid 2-Pyridylmethyl Ester
• Molecular Formula: C₄₂H₄₈F₂N₆O₇
• Molecular Weight: 786.87
• CAS Registry Number: 144162-27-6
• SMILES: [C@H](C(C([C@@H](NC([C@@H](NC(=O)OCC1=CC=CC=N1)C(C)C)=O)CC2=CC=CC=C2)=O)(F)F)(NC([C@@H](NC(=O)OCC3=NC=CC=C3)C(C)C)=O)CC4=CC=CC=C4
• InChI: 1S/C42H48F2N6O7/c1-27(2)35(49-40(54)56-25-31-19-11-13-21-45-31)38(52)47-33(23-29-15-7-5-8-16-29)37(51)42(43,44)34(24-30-17-9-6-10-18-30)48-39(53)36(28(3)4)50-41(55)57-26-32-20-12-14-22-46-32/h5-22,27-28,33-36H,23-26H2,1-4H3,(H,47,52)(H,48,53)(H,49,54)(H,50,55)/t33-,34-,35-,36-/m0/s1
• InChIKey: QSHUTRHKYMAIMU-ZYADHFCISA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 971.93°C at 760 mmHg (Cal.)
• Flash point: 541.604°C (Cal.)