basic_info |
|
| Product_Name： | BETA-AMYLOID (1-45) |
| EnglishSynonyms： | DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATVI ; BETA-AMYLOID (1-45) ; H-ASP-ALA-GLU-PHE-ARG-HIS-ASP-SER-GLY-TYR-GLU-VAL-HIS-HIS-GLN-LYS-LEU-VAL-PHE-PHE-ALA-GLU-ASP-VAL-GLY-SER-ASN-LYS-GLY-ALA-ILE-ILE-GLY-LEU-MET-VAL-GLY-GLY-VAL-VAL-ILE-ALA-THR-VAL-ILE-OH |
| pro_mdlNumber： | MFCD09750631 |
| pro_acceptors： | 122 |
| pro_donors： | 66 |
| pro_smile： | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)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/C218H338N58O64S/c1-33-113(23)174(208(330)235-97-158(286)243-139(77-104(5)6)194(316)253-138(72-76-341-32)192(314)266-167(106(9)10)206(328)233-93-155(283)230-94-160(288)265-169(108(13)14)211(333)270-172(111(19)20)212(334)274-175(114(24)34-2)214(336)242-120(30)182(304)276-178(121(31)279)216(338)271-173(112(21)22)213(335)275-177(217(339)340)116(26)36-4)273-215(337)176(115(25)35-3)272-181(303)117(27)239-156(284)95-231-184(306)131(57-46-48-73-219)248-201(323)148(87-154(223)282)259-205(327)152(100-278)245-159(287)98-234-207(329)168(107(11)12)267-204(326)150(89-166(299)300)260-190(312)136(66-70-162(291)292)247-180(302)119(29)241-193(315)142(79-122-51-40-37-41-52-122)256-197(319)144(81-124-55-44-39-45-56-124)262-209(331)171(110(17)18)269-203(325)140(78-105(7)8)254-186(308)132(58-47-49-74-220)249-188(310)134(64-68-153(222)281)251-198(320)145(83-126-90-226-101-236-126)258-200(322)147(85-128-92-228-103-238-128)263-210(332)170(109(15)16)268-191(313)137(67-71-163(293)294)252-195(317)141(82-125-60-62-129(280)63-61-125)244-157(285)96-232-185(307)151(99-277)264-202(324)149(88-165(297)298)261-199(321)146(84-127-91-227-102-237-127)257-187(309)133(59-50-75-229-218(224)225)250-196(318)143(80-123-53-42-38-43-54-123)255-189(311)135(65-69-161(289)290)246-179(301)118(28)240-183(305)130(221)86-164(295)296/h37-45,51-56,60-63,90-92,101-121,130-152,167-178,277-280H,33-36,46-50,57-59,64-89,93-100,219-221H2,1-32H3,(H2,222,281)(H2,223,282)(H,226,236)(H,227,237)(H,228,238)(H,230,283)(H,231,306)(H,232,307)(H,233,328)(H,234,329)(H,235,330)(H,239,284)(H,240,305)(H,241,315)(H,242,336)(H,243,286)(H,244,285)(H,245,287)(H,246,301)(H,247,302)(H,248,323)(H,249,310)(H,250,318)(H,251,320)(H,252,317)(H,253,316)(H,254,308)(H,255,311)(H,256,319)(H,257,309)(H,258,322)(H,259,327)(H,260,312)(H,261,321)(H,262,331)(H,263,332)(H,264,324)(H,265,288)(H,266,314)(H,267,326)(H,268,313)(H,269,325)(H,270,333)(H,271,338)(H,272,303)(H,273,337)(H,274,334)(H,275,335)(H,276,304)(H,289,290)(H,291,292)(H,293,294)(H,295,296)(H,297,298)(H,299,300)(H,339,340)(H4,224,225,229)/t113-,114-,115-,116-,117-,118-,119-,120-,121+,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-/m0/s1 |
| InChiKey： | InChIKey=NTPWPJVQBUHDIE-HWNOCIEWSA-N |
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