Basic Information |
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Product Name: | BETA-AMYLOID (1-22) |
English Synonyms: | DAEFRHDSGYEVHHQKLVFFAE ; BETA-AMYLOID (1-22) ; H-ASP-ALA-GLU-PHE-ARG-HIS-ASP-SER-GLY-TYR-GLU-VAL-HIS-HIS-GLN-LYS-LEU-VAL-PHE-PHE-ALA-GLU-OH |
MDL Number.: | MFCD11113759 |
H bond acceptor: | 69 |
H bond donor: | 38 |
Smile: | CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](Cc4c[nH]cn4)NC(=O)[C@H](C(C)C)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)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N |
InChi: | InChI=1S/C121H169N33O36/c1-61(2)43-81(117(186)154-99(63(5)6)118(187)150-85(46-68-25-16-11-17-26-68)112(181)146-83(44-66-21-12-9-13-22-66)109(178)136-65(8)101(170)143-80(120(189)190)36-40-95(163)164)144-104(173)75(27-18-19-41-122)139-106(175)77(33-37-91(124)157)141-113(182)86(48-70-53-127-58-132-70)148-115(184)88(50-72-55-129-60-134-72)151-119(188)98(62(3)4)153-108(177)79(35-39-94(161)162)142-110(179)82(47-69-29-31-73(156)32-30-69)137-92(158)56-131-103(172)90(57-155)152-116(185)89(52-97(167)168)149-114(183)87(49-71-54-128-59-133-71)147-105(174)76(28-20-42-130-121(125)126)140-111(180)84(45-67-23-14-10-15-24-67)145-107(176)78(34-38-93(159)160)138-100(169)64(7)135-102(171)74(123)51-96(165)166/h9-17,21-26,29-32,53-55,58-65,74-90,98-99,155-156H,18-20,27-28,33-52,56-57,122-123H2,1-8H3,(H2,124,157)(H,127,132)(H,128,133)(H,129,134)(H,131,172)(H,135,171)(H,136,178)(H,137,158)(H,138,169)(H,139,175)(H,140,180)(H,141,182)(H,142,179)(H,143,170)(H,144,173)(H,145,176)(H,146,181)(H,147,174)(H,148,184)(H,149,183)(H,150,187)(H,151,188)(H,152,185)(H,153,177)(H,154,186)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,189,190)(H4,125,126,130)/t64-,65-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,98-,99-/m0/s1 |
InChiKey: | InChIKey=OPHCHLXNDAJNAE-PCSINHKTSA-N |
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