basic_info |
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Product_Name: | KNI 174 |
CAS: | 141804-42-4 |
EnglishSynonyms: | KNI 174 |
pro_mdlNumber: | MFCD00910619 |
pro_acceptors: | 12 |
pro_donors: | 5 |
pro_smile: | CC1([C@H](N(CS1)C(=O)[C@@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)Oc3cccc4c3cccc4)O)C(=O)NC(C)(C)C)C |
InChi: | InChI=1S/C35H43N5O7S/c1-34(2,3)39-31(44)29-35(4,5)48-20-40(29)32(45)28(42)24(18-21-12-7-6-8-13-21)37-30(43)25(19-27(36)41)38-33(46)47-26-17-11-15-22-14-9-10-16-23(22)26/h6-17,24-25,28-29,42H,18-20H2,1-5H3,(H2,36,41)(H,37,43)(H,38,46)(H,39,44)/t24-,25-,28+,29+/m0/s1 |
InChiKey: | InChIKey=ASLOLVRYTAOLQB-LYWOHPCHSA-N |
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