basic_info |
|
| Product_Name： | BETA-AMYLOID (1-44) |
| EnglishSynonyms： | DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATV ; BETA-AMYLOID (1-44) ; 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-OH |
| pro_mdlNumber： | MFCD09750635 |
| pro_acceptors： | 120 |
| pro_donors： | 65 |
| 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)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/C212H327N57O63S/c1-31-110(22)170(203(323)229-94-154(279)237-135(74-101(4)5)189(309)247-134(69-73-333-30)187(307)260-163(103(8)9)201(321)227-90-151(276)224-91-156(281)259-165(105(12)13)206(326)264-168(108(18)19)207(327)268-171(111(23)32-2)208(328)236-116(28)177(297)269-173(117(29)272)210(330)265-169(109(20)21)211(331)332)267-209(329)172(112(24)33-3)266-176(296)113(25)233-152(277)92-225-179(299)127(54-43-45-70-213)242-196(316)144(84-150(217)275)253-200(320)148(97-271)239-155(280)95-228-202(322)164(104(10)11)261-199(319)146(86-162(292)293)254-185(305)132(63-67-158(284)285)241-175(295)115(27)235-188(308)138(76-118-48-37-34-38-49-118)250-192(312)140(78-120-52-41-36-42-53-120)256-204(324)167(107(16)17)263-198(318)136(75-102(6)7)248-181(301)128(55-44-46-71-214)243-183(303)130(61-65-149(216)274)245-193(313)141(80-122-87-220-98-230-122)252-195(315)143(82-124-89-222-100-232-124)257-205(325)166(106(14)15)262-186(306)133(64-68-159(286)287)246-190(310)137(79-121-57-59-125(273)60-58-121)238-153(278)93-226-180(300)147(96-270)258-197(317)145(85-161(290)291)255-194(314)142(81-123-88-221-99-231-123)251-182(302)129(56-47-72-223-212(218)219)244-191(311)139(77-119-50-39-35-40-51-119)249-184(304)131(62-66-157(282)283)240-174(294)114(26)234-178(298)126(215)83-160(288)289/h34-42,48-53,57-60,87-89,98-117,126-148,163-173,270-273H,31-33,43-47,54-56,61-86,90-97,213-215H2,1-30H3,(H2,216,274)(H2,217,275)(H,220,230)(H,221,231)(H,222,232)(H,224,276)(H,225,299)(H,226,300)(H,227,321)(H,228,322)(H,229,323)(H,233,277)(H,234,298)(H,235,308)(H,236,328)(H,237,279)(H,238,278)(H,239,280)(H,240,294)(H,241,295)(H,242,316)(H,243,303)(H,244,311)(H,245,313)(H,246,310)(H,247,309)(H,248,301)(H,249,304)(H,250,312)(H,251,302)(H,252,315)(H,253,320)(H,254,305)(H,255,314)(H,256,324)(H,257,325)(H,258,317)(H,259,281)(H,260,307)(H,261,319)(H,262,306)(H,263,318)(H,264,326)(H,265,330)(H,266,296)(H,267,329)(H,268,327)(H,269,297)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,331,332)(H4,218,219,223)/t110-,111-,112-,113-,114-,115-,116-,117+,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-/m0/s1 |
| InChiKey： | InChIKey=XDSISKCQINDYSW-MGERKZASSA-N |
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