(2S)-N-[(2S,5S)-3,3-Difluoro-5-[[(2S)-3-Methyl-2-(2-Pyridin-2-Ylethylsulfonylamino)Butanoyl]Amino]-4-Oxo-1,6-Di(Phenyl)Hexan-2-Yl]-3-Methyl-2-(2-Pyridin-2-Ylethylsulfonylamino)Butanamide
[CAS# 144185-90-0]

Identification

• Name: (2S)-N-[(2S,5S)-3,3-Difluoro-5-[[(2S)-3-Methyl-2-(2-Pyridin-2-Ylethylsulfonylamino)Butanoyl]Amino]-4-Oxo-1,6-Di(Phenyl)Hexan-2-Yl]-3-Methyl-2-(2-Pyridin-2-Ylethylsulfonylamino)Butanamide
• Synonyms: (2S)-N-[(1S,4S)-2,2-Difluoro-4-[[(2S)-3-Methyl-2-[2-(2-Pyridyl)Ethylsulfonylamino]Butanoyl]Amino]-3-Oxo-5-Phenyl-1-(Phenylmethyl)Pentyl]-3-Methyl-2-[2-(2-Pyridyl)Ethylsulfonylamino]Butanamide; (2S)-N-[(1S,4S)-2,2-Difluoro-4-[[(2S)-3-Methyl-1-Oxo-2-[2-(2-Pyridyl)Ethylsulfonylamino]Butyl]Amino]-3-Oxo-5-Phenyl-1-(Phenylmethyl)Pentyl]-3-Methyl-2-[2-(2-Pyridyl)Ethylsulfonylamino]Butanamide; (2S)-N-[(1S,4S)-1-(Benzyl)-2,2-Difluoro-3-Keto-4-[[(2S)-3-Methyl-2-[2-(2-Pyridyl)Ethylsulfonylamino]Butanoyl]Amino]-5-Phenyl-Pentyl]-3-Methyl-2-[2-(2-Pyridyl)Ethylsulfonylamino]Butyramide
• Molecular Formula: C₄₂H₅₂F₂N₆O₇S₂
• Molecular Weight: 855.03
• CAS Registry Number: 144185-90-0
• SMILES: [C@H](C(N[C@H](C(C([C@@H](NC([C@@H](N[S](=O)(=O)CCC1=CC=CC=N1)C(C)C)=O)CC2=CC=CC=C2)=O)(F)F)CC3=CC=CC=C3)=O)(N[S](=O)(=O)CCC4=NC=CC=C4)C(C)C
• InChI: 1S/C42H52F2N6O7S2/c1-29(2)37(49-58(54,55)25-21-33-19-11-13-23-45-33)40(52)47-35(27-31-15-7-5-8-16-31)39(51)42(43,44)36(28-32-17-9-6-10-18-32)48-41(53)38(30(3)4)50-59(56,57)26-22-34-20-12-14-24-46-34/h5-20,23-24,29-30,35-38,49-50H,21-22,25-28H2,1-4H3,(H,47,52)(H,48,53)/t35-,36-,37-,38-/m0/s1
• InChIKey: WONBDGVQWDNJCU-ZQWQDMLBSA-N

Properties

• Density: 1.277g/cm³ (Cal.)