BIOT-MHRQETVDCLKKFN-AMIDE_化学云数据库

BIOT-MHRQETVDCLKKFN-AMIDE

基本信息
产品名称：	BIOT-MHRQETVDCLKKFN-AMIDE
英文同义词：	CALCIUM/CALMODULIN DEPENDENT PROTEIN KINASE II FRAGMENT BIOTINYL/AMIDE ; BIOT-MHRQETVDCLKKFN-AMIDE
MDL号：	MFCD08274234
氢键受体数量：	49
氢键供体数量：	28
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)N)C(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CCSC)NC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4
InChi：	InChI=1S/C84H136N26O23S3/c1-42(2)33-54(76(126)97-47(19-12-14-29-85)70(120)96-48(20-13-15-30-86)72(122)103-55(34-45-17-8-7-9-18-45)77(127)101-53(69(89)119)36-62(88)113)102-80(130)58(39-134)106-79(129)57(37-65(117)118)105-81(131)66(43(3)4)108-82(132)67(44(5)111)109-75(125)51(25-27-64(115)116)100-73(123)50(24-26-61(87)112)99-71(121)49(21-16-31-93-83(90)91)98-78(128)56(35-46-38-92-41-94-46)104-74(124)52(28-32-135-6)95-63(114)23-11-10-22-60-68-59(40-136-60)107-84(133)110-68/h7-9,17-18,38,41-44,47-60,66-68,111,134H,10-16,19-37,39-40,85-86H2,1-6H3,(H2,87,112)(H2,88,113)(H2,89,119)(H,92,94)(H,95,114)(H,96,120)(H,97,126)(H,98,128)(H,99,121)(H,100,123)(H,101,127)(H,102,130)(H,103,122)(H,104,124)(H,105,131)(H,106,129)(H,108,132)(H,109,125)(H,115,116)(H,117,118)(H4,90,91,93)(H2,107,110,133)/t44-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,66+,67+,68+/m1/s1
InChiKey：	InChIKey=DFBUTFDYFIUVHW-WMZNYEEDSA-N

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