basic_info |
|
| Product_Name: | DITEKIREN |
| CAS: | 103336-05-6 |
| EnglishSynonyms: | DITEKIREN |
| pro_mdlNumber: | MFCD00865801 |
| pro_acceptors: | 17 |
| pro_donors: | 6 |
| pro_smile: | CC[C@H](C)[C@@H](C(=O)NCc1ccccn1)NC(=O)[C@@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]cn2)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)O)C(C)C |
| InChi: | InChI=1S/C50H75N9O8/c1-11-33(6)43(47(64)53-29-35-20-15-16-22-52-35)57-44(61)37(32(4)5)27-42(60)38(24-31(2)3)55-46(63)41(26-36-28-51-30-54-36)58(10)48(65)39(25-34-18-13-12-14-19-34)56-45(62)40-21-17-23-59(40)49(66)67-50(7,8)9/h12-16,18-20,22,28,30-33,37-43,60H,11,17,21,23-27,29H2,1-10H3,(H,51,54)(H,53,64)(H,55,63)(H,56,62)(H,57,61)/t33-,37-,38-,39-,40-,41-,42-,43-/m0/s1 |
| InChiKey: | InChIKey=SASWSEQJAITMKS-JJNNLWIXSA-N |
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