Amylin, amide, rat（CAS号：124447-81-0）

S1C[C@@H](C(N[C@@H](C)C(N[C@@H]([C@@H](C)O)C(N[C@@H](CCC(N)=O)C(N[C@H](C(N[C@H](C(N[C@@H](C)C(N[C@@H](CC(N)=O)C(N[C@@H](CC2C=CC=CC=2)C(N[C@H](C(N[C@@H](C(C)C)C(N[C@@H](CCCNC(=N)N)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(NCC(N2CCC[C@H]2C(N[C@@H](C(C)C)C(N[C@@H](CC(C)C)C(N2CCC[C@H]2C(N2CCC[C@H]2C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CC2C=CC(=CC=2)O)=O)[C@@H](C)O)=O)CC(N)=O)=O)CO)=O)=O)C(C)C)=O)CC(N)=O)=O)[C@@H](C)O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CC(C)C)=O)=O)=O)=O)CC(C)C)=O)CCCNC(=N)N)=O)=O)=O)=O)NC([C@H]([C@@H](C)O)NC([C@H](C)NC([C@H]([C@@H](C)O)NC([C@H](CC(N)=O)NC([C@H](CS1)NC([C@H](CCCCN)N)=O)=O)=O)=O)=O)=O

InChI

1S/C167H272N52O53S2/c1-72(2)53-95(136(243)185-66-122(237)217-50-30-38-111(217)154(261)211-125(78(13)14)158(265)204-105(56-75(7)8)164(271)219-52-32-40-113(219)165(272)218-51-31-39-112(218)155(262)216-130(86(22)227)162(269)203-104(64-120(176)235)146(253)209-123(76(9)10)156(263)184-65-121(236)189-106(67-220)149(256)201-102(62-118(174)233)147(254)215-129(85(21)226)161(268)193-94(131(177)238)57-88-41-43-89(228)44-42-88)195-143(250)100(60-116(172)231)199-144(251)101(61-117(173)232)200-150(257)107(68-221)206-151(258)108(69-222)205-138(245)92(37-29-49-183-167(180)181)191-157(264)124(77(11)12)210-145(252)97(55-74(5)6)197-141(248)98(58-87-33-24-23-25-34-87)198-142(249)99(59-115(171)230)194-132(239)79(15)186-140(247)96(54-73(3)4)196-137(244)91(36-28-48-182-166(178)179)190-139(246)93(45-46-114(170)229)192-160(267)127(83(19)224)212-133(240)80(16)187-152(259)109-70-273-274-71-110(207-135(242)90(169)35-26-27-47-168)153(260)202-103(63-119(175)234)148(255)214-126(82(18)223)159(266)188-81(17)134(241)213-128(84(20)225)163(270)208-109/h23-25,33-34,41-44,72-86,90-113,123-130,220-228H,26-32,35-40,45-71,168-169H2,1-22H3,(H2,170,229)(H2,171,230)(H2,172,231)(H2,173,232)(H2,174,233)(H2,175,234)(H2,176,235)(H2,177,238)(H,184,263)(H,185,243)(H,186,247)(H,187,259)(H,188,266)(H,189,236)(H,190,246)(H,191,264)(H,192,267)(H,193,268)(H,194,239)(H,195,250)(H,196,244)(H,197,248)(H,198,249)(H,199,251)(H,200,257)(H,201,256)(H,202,260)(H,203,269)(H,204,265)(H,205,245)(H,206,258)(H,207,242)(H,208,270)(H,209,253)(H,210,252)(H,211,261)(H,212,240)(H,213,241)(H,214,255)(H,215,254)(H,216,262)(H4,178,179,182)(H4,180,181,183)/t79-,80-,81-,82+,83+,84+,85+,86+,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,123-,124-,125-,126-,127-,128-,129-,130-/m0/s1

InChIKey

AGQDOUOEJSDDQH-BJQYWQRQSA-N

LogP

-25.114360000000428

拓扑极性表面积

1723.8599999999983 Ų

氢键供体/受体

70 / 105

复杂度

9580