CDFQTKFALSLSPGAHD_化学云数据库

CDFQTKFALSLSPGAHD

基本信息
产品名称：	CDFQTKFALSLSPGAHD
英文同义词：	MYD88, HUMAN, INTERMEDIATE ; CDFQTKFALSLSPGAHD
MDL号：	MFCD03844561
氢键受体数量：	47
氢键供体数量：	25
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)N
InChi：	InChI=1S/C81H121N21O26S/c1-40(2)27-51(72(118)99-58(36-103)77(123)95-52(28-41(3)4)73(119)100-59(37-104)80(126)102-26-16-22-60(102)78(124)86-35-62(107)88-42(5)66(112)93-55(31-47-34-85-39-87-47)75(121)98-57(81(127)128)33-64(110)111)92-67(113)43(6)89-71(117)53(29-45-17-10-8-11-18-45)96-69(115)49(21-14-15-25-82)91-79(125)65(44(7)105)101-70(116)50(23-24-61(84)106)90-74(120)54(30-46-19-12-9-13-20-46)97-76(122)56(32-63(108)109)94-68(114)48(83)38-129/h8-13,17-20,34,39-44,48-60,65,103-105,129H,14-16,21-33,35-38,82-83H2,1-7H3,(H2,84,106)(H,85,87)(H,86,124)(H,88,107)(H,89,117)(H,90,120)(H,91,125)(H,92,113)(H,93,112)(H,94,114)(H,95,123)(H,96,115)(H,97,122)(H,98,121)(H,99,118)(H,100,119)(H,101,116)(H,108,109)(H,110,111)(H,127,128)/t42-,43-,44+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,65-/m0/s1
InChiKey：	InChIKey=OMCFUCNIWXCOFI-BWGKUGFQSA-N

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