(R)-AE0047

189624-86-0

MFCD01758588

C41 H42 N4 O6 . 2 Cl H

759.727

InChI=1S/C41H42N4O6.2ClH/c1-28-36(40(46)50-3)38(33-15-10-16-35(27-33)45(48)49)37(29(2)42-28)41(47)51-26-21-30-17-19-34(20-18-30)43-22-24-44(25-23-43)39(31-11-6-4-7-12-31)32-13-8-5-9-14-32;;/h4-20,27,38-39,42H,21-26H2,1-3H3;2*1H/t38-;;/m1../s1

InChIKey=MVMIPBPFTZGTBS-VROLVAQFSA-N

CC1=C([C@H](C(=C(N1)C)C(=O)OCCc2ccc(cc2)N3CCN(CC3)C(c4ccccc4)c5ccccc5)c6cccc(c6)[N+](=O)[O-])C(=O)OC.Cl.Cl

pro_donors:1

pro_acceptors:10

XLogP3:0.0

Bulk/Fine:F