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Inhibitor Report for: THL-10d

Name Class
THL-10dTypeOxooxetan
Lipase inhibitor
Benzyloxycarbonyl
Chemical_Nomenclature(2S)-1-((2S)-3-isopropyl-4-oxooxetan-2-yl)tridecan-2-yl ((benzyloxy)carbonyl)-L-leucinate
FormulaC33H53NO6
MW559.78
PaperKhan_2021_ACS.Infect.Dis_7_2876
Structure7MYG
CommentCompound THL(Orlistat)alpha-chain modified intermediate for Orlistat synthesis. Modest inhibitore of Ag85A (34+/- 22 microM) and Ag85C (66+/-8 microM).
Gene_locusmyctu-a85c
FamilyA85-Mycolyl-transferase
InChIKeyFKTDDZMNPSGCRY-UHFFFAOYSA-N
CanonicalSMILESC(CCCCCCCCCC(CC1C(C(O1)=O)C(C)C)OC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2)C
InChIInChI=1S/C33H53NO6/c1-6-7-8-9-10-11-12-13-17-20-27(22-29-30(25(4)5)32(36)40-29)39-31(35)28(21-24(2)3)34-33(37)38-23-26-18-15-14-16-19-26/h14-16,18-19,24-25,27-30H,6-13,17,20-23H2,1-5H3,(H,34,37)

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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