Basic Information |
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Product Name: | BETA-AMYLOID (4-15)-LYS(BIOTIN)-NH2 |
English Synonyms: | F R H D S G Y E V H H Q K (BIOTIN) NH2 ; BETA-AMYLOID (4-15)-LYS(BIOTIN)-NH2 |
MDL Number.: | MFCD22125295 |
H bond acceptor: | 53 |
H bond donor: | 30 |
Smile: | CC(C)[C@@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCC[C@H]3[C@@H]4[C@H](CS3)NC(=O)N4)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc6c[nH]cn6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc7ccccc7)N |
InChi: | InChI=1S/C94H139N29O24S/c1-52(2)79(122-86(140)63(30-32-77(131)132)115-87(141)64(38-54-25-27-58(125)28-26-54)111-76(130)46-107-83(137)69(47-124)120-91(145)68(42-78(133)134)118-89(143)66(40-56-44-101-50-109-56)116-84(138)61(20-16-36-106-93(98)99)113-82(136)59(95)37-53-17-6-3-7-18-53)92(146)119-67(41-57-45-102-51-110-57)90(144)117-65(39-55-43-100-49-108-55)88(142)114-62(29-31-72(96)126)85(139)112-60(81(97)135)19-12-15-35-105-74(128)23-9-5-13-33-103-73(127)22-8-4-14-34-104-75(129)24-11-10-21-71-80-70(48-148-71)121-94(147)123-80/h3,6-7,17-18,25-28,43-45,49-52,59-71,79-80,124-125H,4-5,8-16,19-24,29-42,46-48,95H2,1-2H3,(H2,96,126)(H2,97,135)(H,100,108)(H,101,109)(H,102,110)(H,103,127)(H,104,129)(H,105,128)(H,107,137)(H,111,130)(H,112,139)(H,113,136)(H,114,142)(H,115,141)(H,116,138)(H,117,144)(H,118,143)(H,119,146)(H,120,145)(H,122,140)(H,131,132)(H,133,134)(H4,98,99,106)(H2,121,123,147)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,79-,80-/m0/s1 |
InChiKey: | InChIKey=RSGYXVXRPTVUGD-OOSQPFHMSA-N |
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