N,N,N'-三甲基-N'-(2-羟基-3-甲基-5-碘苯甲基)-1,3-丙二胺二盐酸

84953-77-5

MFCD00080172

C28 H46 N12 O10 S2

774.877

InChI=1S/C28H46N12O10S2/c29-13(27(49)50)11-51-52-12-17(39-24(46)16(9-19(30)41)38-23(45)15-5-6-21(43)36-15)26(48)40-8-2-4-18(40)25(47)37-14(3-1-7-34-28(32)33)22(44)35-10-20(31)42/h13-18H,1-12,29H2,(H2,30,41)(H2,31,42)(H,35,44)(H,36,43)(H,37,47)(H,38,45)(H,39,46)(H,49,50)(H4,32,33,34)/t13-,14-,15-,16-,17-,18-/m0/s1

InChIKey=ACRRQMLBQULNCV-QQCJEOGWSA-N

C1C[C@H](N(C1)C(=O)[C@H](CSSC[C@@H](C(=O)O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H]2CCC(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N

pro_donors:12

pro_acceptors:22

XLogP3:-13.0

Bulk/Fine:F