BETA-AMYLOID (1-49)

CAS号
CCD编号
CCD00781407
分子式
C239 H376 N62 O69 S
分子量
5254.03

基本信息

产品名称: BETA-AMYLOID (1-49)
英文同义词: 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-VAL-ILE-THR-LEU-OH ; DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIATVIVITL ; BETA-AMYLOID (1-49)
MDL号: MFCD09750632
氢键受体数量: 131
氢键供体数量: 71
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)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(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/C239H376N62O69S/c1-40-124(28)189(225(356)256-106-172(312)264-152(85-113(6)7)211(342)274-151(80-84-371-39)209(340)288-181(116(12)13)223(354)254-102-169(309)251-103-174(314)287-183(118(16)17)228(359)292-186(121(22)23)229(360)297-190(125(29)41-2)232(363)263-132(36)199(330)300-195(134(38)305)237(368)294-188(123(26)27)231(362)298-192(127(31)43-4)233(364)293-187(122(24)25)230(361)299-193(128(32)44-5)235(366)301-194(133(37)304)236(367)285-164(238(369)370)87-115(10)11)296-234(365)191(126(30)42-3)295-198(329)129(33)260-170(310)104-252-201(332)144(65-54-56-81-240)269-218(349)161(96-168(244)308)280-222(353)166(109-303)266-173(313)107-255-224(355)182(117(14)15)289-221(352)163(98-180(325)326)281-207(338)149(74-78-176(317)318)268-197(328)131(35)262-210(341)155(88-135-59-48-45-49-60-135)277-214(345)157(90-137-63-52-47-53-64-137)283-226(357)185(120(20)21)291-220(351)153(86-114(8)9)275-203(334)145(66-55-57-82-241)270-205(336)147(72-76-167(243)307)272-215(346)158(92-139-99-247-110-257-139)279-217(348)160(94-141-101-249-112-259-141)284-227(358)184(119(18)19)290-208(339)150(75-79-177(319)320)273-212(343)154(91-138-68-70-142(306)71-69-138)265-171(311)105-253-202(333)165(108-302)286-219(350)162(97-179(323)324)282-216(347)159(93-140-100-248-111-258-140)278-204(335)146(67-58-83-250-239(245)246)271-213(344)156(89-136-61-50-46-51-62-136)276-206(337)148(73-77-175(315)316)267-196(327)130(34)261-200(331)143(242)95-178(321)322/h45-53,59-64,68-71,99-101,110-134,143-166,181-195,302-306H,40-44,54-58,65-67,72-98,102-109,240-242H2,1-39H3,(H2,243,307)(H2,244,308)(H,247,257)(H,248,258)(H,249,259)(H,251,309)(H,252,332)(H,253,333)(H,254,354)(H,255,355)(H,256,356)(H,260,310)(H,261,331)(H,262,341)(H,263,363)(H,264,312)(H,265,311)(H,266,313)(H,267,327)(H,268,328)(H,269,349)(H,270,336)(H,271,344)(H,272,346)(H,273,343)(H,274,342)(H,275,334)(H,276,337)(H,277,345)(H,278,335)(H,279,348)(H,280,353)(H,281,338)(H,282,347)(H,283,357)(H,284,358)(H,285,367)(H,286,350)(H,287,314)(H,288,340)(H,289,352)(H,290,339)(H,291,351)(H,292,359)(H,293,364)(H,294,368)(H,295,329)(H,296,365)(H,297,360)(H,298,362)(H,299,361)(H,300,330)(H,301,366)(H,315,316)(H,317,318)(H,319,320)(H,321,322)(H,323,324)(H,325,326)(H,369,370)(H4,245,246,250)/t124-,125-,126-,127-,128-,129-,130-,131-,132-,133+,134+,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-/m0/s1
InChiKey: InChIKey=YTXKNJPXBATWFM-OVEBMBKNSA-N

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