哌啶,2,6-二(1-甲基乙基)-,(2R,6R)-

189759-06-6

MFCD01939886

C61 H107 N3 O20

1202.52

InChI=1S/C61H107N3O20/c1-33(16-12-10-11-15-21-64-60(62)63)22-37(5)57-36(4)17-13-14-18-47(68)38(6)50(71)27-43(66)25-42(65)26-45(82-55(77)31-54(75)76)28-46-29-53(74)58(79)61(81,84-46)32-44(67)23-34(2)24-49(70)40(8)52(73)30-51(72)39(7)48(69)20-19-35(3)56(78)41(9)59(80)83-57/h13-14,16-19,34,36-53,56-58,65-74,78-79,81H,10-12,15,20-32H2,1-9H3,(H,75,76)(H4,62,63,64)/b17-13+,18-14+,33-16+,35-19+

InChIKey=GJZQAJLWEXXOCX-CTHFRFMNSA-N

CC1CC(CC2(C(C(CC(O2)CC(CC(CC(CC(C(C(/C=C/C=C/C(C(OC(=O)C(C(/C(=C/CC(C(C(CC(C(C(C1)O)C)O)O)C)O)/C)O)C)C(C)C/C(=C/CCCCCNC(=N)N)/C)C)O)C)O)O)O)OC(=O)CC(=O)O)O)O)O)O

pro_donors:17

pro_acceptors:23

XLogP3:-4.0

Bulk/Fine:F