CAS: 158268-42-9 - 2-Oxa-5,8,11-triazabicyclo[12.2.2]octadeca-14,16,17-triene-12-propanamide, α,α-difluoro-9-(1-methylethyl)-β,4,7,10-tetraoxo-N-(phenylmethyl)-, [9S-(9R*,12R*)]-

Formula: C₂₇H₃₀F₂N₄O₆

InChI: InChI=1S/C27H30F2N4O6/c1-16(2)23-25(37)32-20(24(36)27(28,29)26(38)31-13-18-6-4-3-5-7-18)12-17-8-10-19(11-9-17)39-15-22(35)30-14-21(34)33-23/h3-11,16,20,23H,12-15H2,1-2H3,(H,30,35)(H,31,38)(H,32,37)(H,33,34)/t20-,23-/m0/s1

InChI key: InChIKey=FENHLDPCCNRQQC-REWPJTCUSA-N

SMILES: O=C1NCC(=O)NC(C(=O)NC(C(=O)C(F)(F)C(=O)NCC=2C=CC=CC2)CC3=CC=C(OC1)C=C3)C(C)C

Synonyms:

• MDL 104168
• 2-Oxa-5,8,11-triazabicyclo[12.2.2]octadeca-14,16,17-triene-12-propanamide, α,α-difluoro-9-(1-methylethyl)-β,4,7,10-tetraoxo-N-(phenylmethyl)-, [9S-(9R*,12R*)]-

MDL-104168

CAS: 158268-42-9

MDL-104168 is a macrocyclic HIV-protease inhibitor.

• Formula: C₂₇H₃₀F₂N₄O₆
• Color and Shape: Solid
• Molecular weight: 544.55