(2S)-N-[(2S,5S)-3,3-Difluoro-5-[[(2S)-3-Methyl-2-[(Methyl-(Pyridin-2-Ylmethyl)Carbamoyl)Amino]Butanoyl]Amino]-4-Oxo-1,6-Di(Phenyl)Hexan-2-Yl]-3-Methyl-2-[(Methyl-(Pyridin-2-Ylmethyl)Carbamoyl)Amino]Butanamide
[CAS# 144162-29-8]

Identification

• Name: (2S)-N-[(2S,5S)-3,3-Difluoro-5-[[(2S)-3-Methyl-2-[(Methyl-(Pyridin-2-Ylmethyl)Carbamoyl)Amino]Butanoyl]Amino]-4-Oxo-1,6-Di(Phenyl)Hexan-2-Yl]-3-Methyl-2-[(Methyl-(Pyridin-2-Ylmethyl)Carbamoyl)Amino]Butanamide
• Synonyms: (2S)-N-[(1S,4S)-2,2-Difluoro-4-[[(2S)-3-Methyl-2-[(Methyl-(2-Pyridylmethyl)Carbamoyl)Amino]Butanoyl]Amino]-3-Oxo-5-Phenyl-1-(Phenylmethyl)Pentyl]-3-Methyl-2-[(Methyl-(2-Pyridylmethyl)Carbamoyl)Amino]Butanamide; (2S)-N-[(1S,4S)-2,2-Difluoro-4-[[(2S)-3-Methyl-2-[[(Methyl-(2-Pyridylmethyl)Amino)-Oxomethyl]Amino]-1-Oxobutyl]Amino]-3-Oxo-5-Phenyl-1-(Phenylmethyl)Pentyl]-3-Methyl-2-[[(Methyl-(2-Pyridylmethyl)Amino)-Oxomethyl]Amino]Butanamide; (2S)-N-[(1S,4S)-1-(Benzyl)-2,2-Difluoro-3-Keto-4-[[(2S)-3-Methyl-2-[(Methyl-(2-Pyridylmethyl)Carbamoyl)Amino]Butanoyl]Amino]-5-Phenyl-Pentyl]-3-Methyl-2-[(Methyl-(2-Pyridylmethyl)Carbamoyl)Amino]Butyramide
• Molecular Formula: C₄₄H₅₄F₂N₈O₅
• Molecular Weight: 812.96
• CAS Registry Number: 144162-29-8
• SMILES: [C@H](C(C([C@@H](NC([C@@H](NC(N(CC1=CC=CC=N1)C)=O)C(C)C)=O)CC2=CC=CC=C2)=O)(F)F)(NC([C@@H](NC(N(CC3=NC=CC=C3)C)=O)C(C)C)=O)CC4=CC=CC=C4
• InChI: 1S/C44H54F2N8O5/c1-29(2)37(51-42(58)53(5)27-33-21-13-15-23-47-33)40(56)49-35(25-31-17-9-7-10-18-31)39(55)44(45,46)36(26-32-19-11-8-12-20-32)50-41(57)38(30(3)4)52-43(59)54(6)28-34-22-14-16-24-48-34/h7-24,29-30,35-38H,25-28H2,1-6H3,(H,49,56)(H,50,57)(H,51,58)(H,52,59)/t35-,36-,37-,38-/m0/s1
• InChIKey: JTDUYNAHHZIVPJ-ZQWQDMLBSA-N

Properties

• Density: 1.214g/cm³ (Cal.)
• Boiling point: 1049.114°C at 760 mmHg (Cal.)
• Flash point: 588.283°C (Cal.)