BETA-SECRETASE SUBSTRATE-1_化学云数据库

BETA-SECRETASE SUBSTRATE-1

基本信息
产品名称：	BETA-SECRETASE SUBSTRATE-1
英文同义词：	RE-(EDANS)-EVNLD-AEFK-(DABCYL)-R-OH ; BETA-SECRETASE SUBSTRATE-1
MDL号：	MFCD07366979
氢键受体数量：	50
氢键供体数量：	29
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c2ccc(cc2)NNc3ccc(cc3)N(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)NCCNc4cccc5c4cccc5S(=O)(=O)O)NC(=O)[C@H](CCCNC(=N)N)N
InChi：	InChI=1S/C91H131N25O25S/c1-49(2)45-66(109-87(135)68(47-71(93)117)112-88(136)76(50(3)4)113-83(131)64(36-39-74(121)122)107-81(129)62(105-79(127)59(92)21-15-41-101-90(94)95)34-37-72(118)99-44-43-98-60-23-13-20-58-57(60)19-14-25-70(58)142(139,140)141)85(133)111-69(48-75(123)124)84(132)103-51(5)77(125)104-63(35-38-73(119)120)82(130)110-67(46-52-17-9-8-10-18-52)86(134)106-61(80(128)108-65(89(137)138)24-16-42-102-91(96)97)22-11-12-40-100-78(126)53-26-28-54(29-27-53)114-115-55-30-32-56(33-31-55)116(6)7/h8-10,13-14,17-20,23,25-33,49-51,59,61-69,76,98,114-115H,11-12,15-16,21-22,24,34-48,92H2,1-7H3,(H2,93,117)(H,99,118)(H,100,126)(H,103,132)(H,104,125)(H,105,127)(H,106,134)(H,107,129)(H,108,128)(H,109,135)(H,110,130)(H,111,133)(H,112,136)(H,113,131)(H,119,120)(H,121,122)(H,123,124)(H,137,138)(H4,94,95,101)(H4,96,97,102)(H,139,140,141)/t51-,59-,61-,62-,63-,64-,65-,66-,67-,68-,69-,76-/m0/s1
InChiKey：	InChIKey=PIIJJEXTBYLULT-YHBITHHLSA-N

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