Amyloid b-Protein (17-40) Ammonium（CAS号：156790-69-1）

S(C)CC[C@@H](C(N[C@H](C(NCC(NCC(N[C@H](C(N[C@H](C(=O)O)C(C)C)=O)C(C)C)=O)=O)=O)C(C)C)=O)NC([C@H](CC(C)C)NC(CNC([C@H]([C@@H](C)CC)NC([C@H]([C@@H](C)CC)NC([C@H](C)NC(CNC([C@H](CCCCN)NC([C@H](CC(N)=O)NC([C@H](CO)NC(CNC([C@H](C(C)C)NC([C@H](CC(=O)O)NC([C@H](CCC(=O)O)NC([C@H](C)NC([C@H](CC1C=CC=CC=1)NC([C@H](CC1C=CC=CC=1)NC([C@H](C(C)C)NC([C@H](CC(C)C)N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O

InChI

1S/C110H178N26O31S/c1-22-61(17)90(106(162)118-51-80(141)121-71(43-55(5)6)99(155)125-70(39-41-168-21)97(153)132-85(56(7)8)104(160)116-48-78(139)114-49-82(143)130-87(58(11)12)108(164)134-89(60(15)16)110(166)167)136-109(165)91(62(18)23-2)135-93(149)63(19)119-79(140)50-115-95(151)68(36-30-31-40-111)124-101(157)74(46-77(113)138)127-103(159)76(53-137)122-81(142)52-117-105(161)86(57(9)10)133-102(158)75(47-84(146)147)128-96(152)69(37-38-83(144)145)123-92(148)64(20)120-98(154)72(44-65-32-26-24-27-33-65)126-100(156)73(45-66-34-28-25-29-35-66)129-107(163)88(59(13)14)131-94(150)67(112)42-54(3)4/h24-29,32-35,54-64,67-76,85-91,137H,22-23,30-31,36-53,111-112H2,1-21H3,(H2,113,138)(H,114,139)(H,115,151)(H,116,160)(H,117,161)(H,118,162)(H,119,140)(H,120,154)(H,121,141)(H,122,142)(H,123,148)(H,124,157)(H,125,155)(H,126,156)(H,127,159)(H,128,152)(H,129,163)(H,130,143)(H,131,150)(H,132,153)(H,133,158)(H,134,164)(H,135,149)(H,136,165)(H,144,145)(H,146,147)(H,166,167)/t61-,62-,63-,64-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,85-,86-,87-,88-,89-,90-,91-/m0/s1

InChIKey

QKAFHCYMOBODRG-FZSVSODXSA-N

LogP

-6.2153999999999066

拓扑极性表面积

896.5600000000006 Ų

氢键供体/受体

33 / 57

复杂度

5180