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Inhibitor Report for: 4-Oxo-beta-Lactam-91-sub

Name Class
4-Oxo-beta-Lactam-91-subTypeIsoquinoline
beta-Lactam
Benzodioxo
Azetidin
Other_NameQXT
Chemical_Nomenclature1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
FormulaC24H26N2O4
MW406.47
PaperCarvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498
Structure7A3G
CommentIn the structure the beta-lactam ring is described as open
Gene_locushuman-DPP8
CID155926544
FamilyDPP4N_Peptidase_S9
InChIKeyMFVPPSBYBIAVQH-UHFFFAOYSA-N
CanonicalSMILESCCC1(C(=O)N(C1=O)c2cccc(c2)CN3CCc4cc5c(cc4C3)OCO5)CC
InChIInChI=1S/C24H26N2O4/c1-3-24(4-2)22(27)26(23(24)28)19-7-5-6-16(10-19)13-25-9-8-17-11-20-21(30-15-29-20)12-18(17)14-25/h5-7,10-12H,3-4,8-9,13-15H2,1-2H3

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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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