basic_info |
|
| Product_Name: | PKSI-527 |
| CAS: | 128837-71-8 |
| EnglishSynonyms: | PKSI-527 |
| pro_mdlNumber: | MFCD01745772 |
| pro_acceptors: | 7 |
| pro_donors: | 4 |
| pro_smile: | c1ccc(cc1)C[C@@H](C(=O)Nc2ccc(cc2)CC(=O)O)NC(=O)[C@H]3CC[C@@H](CC3)CN.Cl |
| InChi: | InChI=1S/C25H31N3O4.ClH/c26-16-19-6-10-20(11-7-19)24(31)28-22(14-17-4-2-1-3-5-17)25(32)27-21-12-8-18(9-13-21)15-23(29)30;/h1-5,8-9,12-13,19-20,22H,6-7,10-11,14-16,26H2,(H,27,32)(H,28,31)(H,29,30);1H/t19-,20-,22-;/m0./s1 |
| InChiKey: | InChIKey=NAXNMKUKSBHHMP-JLBKCEDKSA-N |
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