Exendin-4 (1-8) trifluoroacetate salt H-His-Gly-Glu-Gly-Thr-Phe-Thr-Ser-NH2 trifluoroacetate salt（CAS番号：1802078-29-0）

FC(C(=O)O[H])(F)F.O([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(C(N([H])[C@]([H])(C(N([H])[H])=O)C([H])([H])O[H])=O)N([H])C([C@]([H])(C([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])N([H])C([C@]([H])([C@@]([H])(C([H])([H])[H])O[H])N([H])C(C([H])([H])N([H])C([C@]([H])(C([H])([H])C([H])([H])C(=O)O[H])N([H])C(C([H])([H])N([H])C([C@]([H])(C([H])([H])C1=C([H])N=C([H])N1[H])N([H])[H])=O)=O)=O)=O)=O)=O

InChI

1S/C35H51N11O13.C2HF3O2/c1-17(48)28(34(58)43-23(10-19-6-4-3-5-7-19)33(57)46-29(18(2)49)35(59)44-24(15-47)30(37)54)45-26(51)14-40-32(56)22(8-9-27(52)53)42-25(50)13-39-31(55)21(36)11-20-12-38-16-41-20;3-2(4,5)1(6)7/h3-7,12,16-18,21-24,28-29,47-49H,8-11,13-15,36H2,1-2H3,(H2,37,54)(H,38,41)(H,39,55)(H,40,56)(H,42,50)(H,43,58)(H,44,59)(H,45,51)(H,46,57)(H,52,53);(H,6,7)/t17-,18-,21+,22+,23+,24+,28+,29+;/m1./s1

InChIKey

CQSKABUXHULMOB-LCGDSFTFSA-N

LogP

-6.0841000000000145

トポロジカル極性表面積

436.77999999999986 Ų

水素結合ドナー/アクセプター

17 / 26

複雑度

1570