ASTSPEDESPGSNPEPDATP_化学云数据库

ASTSPEDESPGSNPEPDATP

基本信息
产品名称：	ASTSPEDESPGSNPEPDATP
英文同义词：	CASPASE-9, HUMAN, INTERMEDIATE2 ; ASTSPEDESPGSNPEPDATP
MDL号：	MFCD03844547
氢键受体数量：	59
氢键供体数量：	28
Smile：	C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)O
InChi：	InChI=1S/C80H121N21O38/c1-34(81)62(120)92-45(31-103)69(127)95-60(36(3)106)74(132)94-47(33-105)78(136)100-24-8-11-49(100)71(129)87-39(16-19-56(112)113)64(122)89-42(28-59(118)119)67(125)86-38(15-18-55(110)111)65(123)93-46(32-104)77(135)97-21-5-10-48(97)70(128)83-29-54(109)85-44(30-102)68(126)91-43(26-53(82)108)76(134)99-23-7-12-50(99)72(130)88-40(17-20-57(114)115)75(133)98-22-6-13-51(98)73(131)90-41(27-58(116)117)66(124)84-35(2)63(121)96-61(37(4)107)79(137)101-25-9-14-52(101)80(138)139/h34-52,60-61,102-107H,5-33,81H2,1-4H3,(H2,82,108)(H,83,128)(H,84,124)(H,85,109)(H,86,125)(H,87,129)(H,88,130)(H,89,122)(H,90,131)(H,91,126)(H,92,120)(H,93,123)(H,94,132)(H,95,127)(H,96,121)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,138,139)/t34-,35-,36+,37+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,60-,61-/m0/s1
InChiKey：	InChIKey=QWQQPZHBANIQEJ-UHNSQLJXSA-N

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