基本信息 |
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| 产品名称： | HUMAN IKBA (20-39) |
| 英文同义词： | LKKERLLDDRHDSGLDSMKD ; HUMAN IKBA (20-39) |
| MDL号： | MFCD18252113 |
| 氢键受体数量： | 66 |
| 氢键供体数量： | 39 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O)N |
| InChi： | InChI=1S/C98H167N31O35S/c1-47(2)32-52(102)78(145)113-53(18-10-13-26-99)80(147)114-54(19-11-14-27-100)81(148)118-58(23-24-72(133)134)85(152)116-56(21-16-29-108-97(103)104)82(149)120-61(34-49(5)6)88(155)121-62(35-50(7)8)89(156)124-65(38-74(137)138)92(159)126-64(37-73(135)136)91(158)117-57(22-17-30-109-98(105)106)83(150)122-63(36-51-42-107-46-111-51)90(157)125-66(39-75(139)140)93(160)128-69(44-130)79(146)110-43-71(132)112-60(33-48(3)4)87(154)123-67(40-76(141)142)94(161)129-70(45-131)95(162)119-59(25-31-165-9)86(153)115-55(20-12-15-28-101)84(151)127-68(96(163)164)41-77(143)144/h42,46-50,52-70,130-131H,10-41,43-45,99-102H2,1-9H3,(H,107,111)(H,110,146)(H,112,132)(H,113,145)(H,114,147)(H,115,153)(H,116,152)(H,117,158)(H,118,148)(H,119,162)(H,120,149)(H,121,155)(H,122,150)(H,123,154)(H,124,156)(H,125,157)(H,126,159)(H,127,151)(H,128,160)(H,129,161)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H,141,142)(H,143,144)(H,163,164)(H4,103,104,108)(H4,105,106,109)/t52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-/m0/s1 |
| InChiKey： | InChIKey=FAJLHGMKTHMAFM-WYSPGRRQSA-N |
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