7-N,7'-N'-DITHIODIETHYLENEDIMITOMYCIN C

93367-29-4

MFCD00871965

C34 H42 N8 O10 S2

786.884

InChI=1S/C34H42N8O10S2/c1-13-21(27(45)19-15(11-51-31(35)47)33(49-3)29-17(39-29)9-41(33)23(19)25(13)43)37-5-7-53-54-8-6-38-22-14(2)26(44)24-20(28(22)46)16(12-52-32(36)48)34(50-4)30-18(40-30)10-42(24)34/h15-18,29-30,37-40H,5-12H2,1-4H3,(H2,35,47)(H2,36,48)/t15-,16-,17+,18+,29+,30+,33-,34-/m1/s1

InChIKey=NYSVZLHPZIUDAC-GXINCIOBSA-N

CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NCCSSCCNC5=C(C(=O)C6=C(C5=O)[C@H]([C@@]7(N6C[C@H]8[C@@H]7N8)OC)COC(=O)N)C

pro_donors:6

pro_acceptors:18

XLogP3:1.0

Bulk/Fine:F