HCV-1 E2 PROTEIN (484-499)（CAS号：161012-10-8）

SC[C@@H](C(NCC(N[C@@H]([C@@H](C)CC)C(N[C@@H](C(C)C)C(N1CCC[C@H]1C(N[C@H](C(=O)O)C)=O)=O)=O)=O)=O)NC([C@@H]1CCCN1C([C@H](CCCCN)NC([C@@H]1CCCN1C([C@@H]1CCCN1C([C@H](CC1C=CC(=CC=1)O)NC([C@H](CC1=CNC=N1)NC([C@H](CC1=CNC2C=CC=CC1=2)NC([C@H](CS)NC([C@H](CC1C=CC(=CC=1)O)NC([C@@H]1CCCN1)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O

InChI

1S/C88H122N20O19S2/c1-6-49(4)73(83(121)104-72(48(2)3)87(125)107-36-14-20-67(107)80(118)95-50(5)88(126)127)103-71(111)44-93-74(112)65(45-128)102-82(120)68-21-12-34-105(68)84(122)60(18-9-10-32-89)96-81(119)69-22-13-35-106(69)86(124)70-23-15-37-108(70)85(123)64(39-52-26-30-56(110)31-27-52)100-78(116)63(41-54-43-90-47-94-54)99-77(115)62(40-53-42-92-58-17-8-7-16-57(53)58)98-79(117)66(46-129)101-76(114)61(38-51-24-28-55(109)29-25-51)97-75(113)59-19-11-33-91-59/h7-8,16-17,24-31,42-43,47-50,59-70,72-73,91-92,109-110,128-129H,6,9-15,18-23,32-41,44-46,89H2,1-5H3,(H,90,94)(H,93,112)(H,95,118)(H,96,119)(H,97,113)(H,98,117)(H,99,115)(H,100,116)(H,101,114)(H,102,120)(H,103,111)(H,104,121)(H,126,127)/t49-,50-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,72-,73-/m0/s1

InChIKey

GYANLEXMXHLYKU-FIAKUXKESA-N

LogP

-0.9518000000000335

pKa

3.70±0.10(Predicted)

拓扑极性表面积

561.62 Ų

氢键供体/受体

19 / 39

复杂度

3880