MUREIDOMYCINA

114797-04-5

MFCD01740893

C38 H48 N8 O12 S

840.907

InChI=1S/C38H48N8O12S/c1-20(44(2)33(52)30(40)31(50)22-9-5-4-6-10-22)29(39)34(53)46(19-24-18-27(48)35(58-24)45-14-12-28(49)43-38(45)57)32(51)25(13-15-59-3)41-37(56)42-26(36(54)55)17-21-8-7-11-23(47)16-21/h4-12,14,16,19-20,25-27,29-31,35,47-48,50H,13,15,17-18,39-40H2,1-3H3,(H,54,55)(H2,41,42,56)(H,43,49,57)/b24-19+

InChIKey=DOMLJHYOZLFBAV-LYBHJNIJSA-N

CC(C(C(=O)N(/C=C/1\CC(C(O1)n2ccc(=O)[nH]c2=O)O)C(=O)C(CCSC)NC(=O)NC(Cc3cccc(c3)O)C(=O)O)N)N(C)C(=O)C(C(c4ccccc4)O)N

pro_donors:9

pro_acceptors:20

XLogP3:-1.0

Bulk/Fine:F