basic_info |
|
| Product_Name: | PPI-2458 |
| CAS: | 431077-35-9 |
| EnglishSynonyms: | PPI-2458 |
| pro_mdlNumber: | MFCD17166999 |
| pro_acceptors: | 8 |
| pro_donors: | 2 |
| pro_smile: | CC(C)[C@H](C(=O)N)NC(=O)O[C@@H]1CC[C@]2(CO2)[C@@H]([C@@H]1OC)[C@@]3([C@H](O3)CC=C(C)C)C |
| InChi: | InChI=1S/C22H36N2O6/c1-12(2)7-8-15-21(5,30-15)18-17(27-6)14(9-10-22(18)11-28-22)29-20(26)24-16(13(3)4)19(23)25/h7,13-18H,8-11H2,1-6H3,(H2,23,25)(H,24,26)/t14-,15-,16-,17-,18+,21+,22+/m1/s1 |
| InChiKey: | InChIKey=QBDVVYNLLXGUGN-LVLULNROSA-N |
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