MUREIDOMYCINE

126049-02-3

MFCD00883232

C39 H48 N8 O12 S

852.918

InChI=1S/C39H48N8O12S/c1-20(46(2)35(54)27-16-22-7-5-9-29(49)25(22)19-40-27)32(34(53)41-18-24-17-30(50)36(59-24)47-12-10-31(51)44-39(47)58)45-33(52)26(11-13-60-3)42-38(57)43-28(37(55)56)15-21-6-4-8-23(48)14-21/h4-10,12,14,18,20,26-28,30,32,36,40,48-50H,11,13,15-17,19H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b24-18+

InChIKey=RFAFKGRDICXXEY-HKOYGPOVSA-N

CC(C(C(=O)N/C=C/1\CC(C(O1)n2ccc(=O)[nH]c2=O)O)NC(=O)C(CCSC)NC(=O)NC(Cc3cccc(c3)O)C(=O)O)N(C)C(=O)C4Cc5cccc(c5CN4)O

H bond donor:10

H bond acceptor:20

XLogP3:0.0

Bulk/Fine:F