Inhibitor Report for: D3C
D3C | Type | Trifluoro |
| | Pyrrolidine |
| | Carboxamide |
| Other_Name | N-[(3r)-3-Amino-4-(2,4,5-Trifluorophenyl)butyl]-6-(Trifluoromethyl)-3,4-Dihydropyrrolo[1,2-A]pyrazine-2(1h)-Carboxamide |
| | D3C |
| Chemical_Nomenclature | N-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butyl]-6-(trifluoromethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide |
| Formula | C19H20F6N4O |
| MW | 434.38 |
| |
| Paper | Zhu_2013_ChemMedChem_8_1104 |
| Structure | 4J3J |
| Comment | close to Sitagliptin and Triazolopiperazine-based-beta-amino-acid |
| Gene_locus | human-DPP4 |
| CID | 72715987 |
| Family | DPP4N_Peptidase_S9 |
| InChIKey | LULDEXNDCODGTE-LBPRGKRZSA-N |
| CanonicalSMILES | C1CN2C(=CC=C2C(F)(F)F)CN1C(=O)NCCC(CC3=CC(=C(C=C3F)F)F)N |
| InChI | InChI=1S/C19H20F6N4O/c20-14-9-16(22)15(21)8-11(14)7-12(26)3-4-27-18(30)28-5-6-29-13(10-28)1-2-17(29)19(23,24)25/h1-2,8-9,12H,3-7,10,26H2,(H,27,30)/t12-/m0/s1 |
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