Molecular Structure:
CCD No.:CCD00480577
BETA-SECRETASE SUBSTRATE VI, FLUOROGENIC
Formula:C90 H131 N23 O27 S
MolWeight:1999.22
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| Product Name： | BETA-SECRETASE SUBSTRATE VI, FLUOROGENIC |
| English Synonyms： | BETA-SECRETASE SUBSTRATE VI, FLUOROGENIC ; H-K(DABSYL)-SEVNLDAEFRQ(LY) |
| MDL Number.： | MFCD04974205 |
| H bond acceptor： | 50 |
| H bond donor： | 26 |
| Smile： | CC(C)C[C@@H](C(=O)NC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)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](CO)NC(=O)[C@H](CCCCNS(=O)(=O)c2ccc(cc2)/N=N/c3ccc(cc3)N(C)C)N)NC(=O)[C@H](Cc4ccc(cc4)O)N |
| InChi： | InChI=1S/C90H131N23O27S/c1-47(2)40-64(104-85(133)67(44-70(93)116)107-88(136)75(49(5)6)110-81(129)62(34-37-73(120)121)101-87(135)69(46-114)108-77(125)58(91)18-13-14-39-97-141(139,140)57-30-24-54(25-31-57)112-111-53-22-26-55(27-23-53)113(8)9)83(131)106-68(45-74(122)123)82(130)98-50(7)76(124)99-61(33-36-72(118)119)80(128)105-66(43-51-16-11-10-12-17-51)84(132)100-60(19-15-38-96-90(94)95)79(127)102-63(89(137)138)32-35-71(117)109-86(134)65(41-48(3)4)103-78(126)59(92)42-52-20-28-56(115)29-21-52/h10-12,16-17,20-31,47-50,58-69,75,97,114-115H,13-15,18-19,32-46,91-92H2,1-9H3,(H2,93,116)(H,98,130)(H,99,124)(H,100,132)(H,101,135)(H,102,127)(H,103,126)(H,104,133)(H,105,128)(H,106,131)(H,107,136)(H,108,125)(H,110,129)(H,118,119)(H,120,121)(H,122,123)(H,137,138)(H4,94,95,96)(H,109,117,134)/b112-111+/t50-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,75-/m0/s1 |
| InChiKey： | InChIKey=LQCSQFXNJLYFKV-DJJZVGRNSA-N |
Basic Information
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