基本信息 |
|
| 产品名称： | BIOT-WRMMSLSQSRSSKSAPE-AMIDE |
| 英文同义词： | BIOT-WRMMSLSQSRSSKSAPE-AMIDE ; RECEPTOR INTERACTING SERINE/THREONINE PROTEIN KINASE 2 (170-186) BIOTINYL/AMIDE [HOMO SAPIENS] |
| MDL号： | MFCD08274147 |
| 氢键受体数量： | 57 |
| 氢键供体数量： | 35 |
| Smile： | CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5 |
| InChi： | InChI=1S/C91H149N29O28S3/c1-45(2)35-57(111-85(144)63(42-125)115-78(137)56(28-34-150-5)110-77(136)55(27-33-149-4)109-73(132)52(18-12-30-99-89(95)96)105-80(139)58(36-47-37-101-49-16-7-6-15-48(47)49)103-69(128)22-9-8-21-67-71-65(44-151-67)118-91(148)119-71)79(138)116-61(40-123)84(143)108-54(23-25-68(93)127)76(135)114-60(39-122)82(141)107-53(19-13-31-100-90(97)98)75(134)113-64(43-126)86(145)117-62(41-124)83(142)106-51(17-10-11-29-92)74(133)112-59(38-121)81(140)102-46(3)88(147)120-32-14-20-66(120)87(146)104-50(72(94)131)24-26-70(129)130/h6-7,15-16,37,45-46,50-67,71,101,121-126H,8-14,17-36,38-44,92H2,1-5H3,(H2,93,127)(H2,94,131)(H,102,140)(H,103,128)(H,104,146)(H,105,139)(H,106,142)(H,107,141)(H,108,143)(H,109,132)(H,110,136)(H,111,144)(H,112,133)(H,113,134)(H,114,135)(H,115,137)(H,116,138)(H,117,145)(H,129,130)(H4,95,96,99)(H4,97,98,100)(H2,118,119,148)/t46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,71-/m0/s1 |
| InChiKey： | InChIKey=YMNFBPSKNGBTPJ-MKANHGADSA-N |
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