Evolocumab（CAS号：1256937-27-5）

C[C@@H]1CC=N[C@H]1C(=NCCCC[C@@H](C(=O)C(=O)[C@H](CS)NN[C@@H](C[SeH])C(=O)C(=O)[C@H](CCSC)N=C([C@H](C)NN[C@@H](CC(=N)O)C(=O)O)O)N=C([C@H](CC(C)C)N=C([C@H](CCCCN=C([C@H]2[C@@H](CC=N2)C)O)N=C([C@H](C(C)C)N=C([C@H](CCC(=O)O)N)O)O)O)O)O

InChI

InChI=1S/C58H97N15O16S2Se/c1-29(2)25-38(68-53(83)37(14-10-12-21-64-56(86)46-32(6)18-23-62-46)67-57(87)44(30(3)4)69-52(82)34(59)15-16-43(75)76)54(84)66-35(13-9-11-20-63-55(85)45-31(5)17-22-61-45)47(77)49(79)40(27-90)72-73-41(28-92)50(80)48(78)36(19-24-91-8)65-51(81)33(7)70-71-39(58(88)89)26-42(60)74/h22-23,29-41,44-46,70-73,90,92H,9-21,24-28,59H2,1-8H3,(H2,60,74)(H,63,85)(H,64,86)(H,65,81)(H,66,84)(H,67,87)(H,68,83)(H,69,82)(H,75,76)(H,88,89)/t31-,32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,44+,45-,46-/m1/s1

InChIKey

HSSNUIIWBIUJJV-WKJVYGORSA-N

LogP

3.6891699999999994

拓扑极性表面积

513.9500000000002 Ų

氢键供体/受体

17 / 31