(3R,4R)-2,2-Difluoro-3-Hydroxy-N,6-Dimethyl-4-[[(2S)-3-Methyl-1-[[(2S)-3-Methyl-2-(3-Methylbutanoylamino)Butanoyl]Amino]-1-Oxobutan-2-Yl]Amino]Heptanamide
[CAS# 140873-66-1]

Identification

• Name: (3R,4R)-2,2-Difluoro-3-Hydroxy-N,6-Dimethyl-4-[[(2S)-3-Methyl-1-[[(2S)-3-Methyl-2-(3-Methylbutanoylamino)Butanoyl]Amino]-1-Oxobutan-2-Yl]Amino]Heptanamide
• Synonyms: (3R,4R)-2,2-Difluoro-3-Hydroxy-N,6-Dimethyl-4-[[(1S)-2-Methyl-1-[[(2S)-3-Methyl-2-(3-Methylbutanoylamino)Butanoyl]Carbamoyl]Propyl]Amino]Heptanamide; (3R,4R)-2,2-Difluoro-3-Hydroxy-N,6-Dimethyl-4-[[(1S)-2-Methyl-1-[[[(2S)-3-Methyl-2-[(3-Methyl-1-Oxobutyl)Amino]-1-Oxobutyl]Amino]-Oxomethyl]Propyl]Amino]Heptanamide; (3R,4R)-2,2-Difluoro-3-Hydroxy-4-[[(1S)-1-[[(2S)-2-(Isovalerylamino)-3-Methyl-Butanoyl]Carbamoyl]-2-Methyl-Propyl]Amino]-N,6-Dimethyl-Enanthamide
• Molecular Formula: C₂₄H₄₄F₂N₄O₅
• Molecular Weight: 506.63
• CAS Registry Number: 140873-66-1
• SMILES: [C@H](C(=O)NC([C@@H](NC(CC(C)C)=O)C(C)C)=O)(N[C@@H]([C@H](C(C(=O)NC)(F)F)O)CC(C)C)C(C)C
• InChI: 1S/C24H44F2N4O5/c1-12(2)10-16(20(32)24(25,26)23(35)27-9)28-18(14(5)6)21(33)30-22(34)19(15(7)8)29-17(31)11-13(3)4/h12-16,18-20,28,32H,10-11H2,1-9H3,(H,27,35)(H,29,31)(H,30,33,34)/t16-,18+,19+,20-/m1/s1
• InChIKey: JQOQTKVLGGHNRG-BTHPGYMESA-N

Properties

• Density: 1.102g/cm³ (Cal.)
• Boiling point: 707.694°C at 760 mmHg (Cal.)
• Flash point: 381.8°C (Cal.)