Inhibitor Report for: 4-Oxo-beta-Lactam-91-sub
4-Oxo-beta-Lactam-91-sub | Type | Isoquinoline |
| | beta-Lactam |
| | Benzodioxo |
| | Azetidin |
| Other_Name | QXT |
| Chemical_Nomenclature | 1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione |
| Formula | C24H26N2O4 |
| MW | 406.47 |
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| Paper | Carvalho_2022_Angew.Chem.Int.Ed.Engl_61_e202210498 |
| Structure | 7A3G |
| Comment | In the structure the beta-lactam ring is described as open |
| Gene_locus | human-DPP8 |
| CID | 155926544 |
| Family | DPP4N_Peptidase_S9 |
| InChIKey | MFVPPSBYBIAVQH-UHFFFAOYSA-N |
| CanonicalSMILES | CCC1(C(=O)N(C1=O)c2cccc(c2)CN3CCc4cc5c(cc4C3)OCO5)CC |
| InChI | InChI=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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