NAPSAMYCIN C

144379-26-0

MFCD00913760

C39 H50 N8 O12 S

854.934

InChI=1S/C39H50N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)8-7-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-11-9-31(51)44-39(47)58)45-33(52)27(10-12-60-3)42-38(57)43-29(37(55)56)14-21-5-4-6-24(48)13-21/h4-8,13,15,19-20,27-30,32,36,40,48-50H,9-12,14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19+

InChIKey=MFEPAAMYDYMBSN-LGUFXXKBSA-N

CC(C(C(=O)N/C=C/1\CC(C(O1)N2CCC(=O)NC2=O)O)NC(=O)C(CCSC)NC(=O)NC(Cc3cccc(c3)O)C(=O)O)N(C)C(=O)C4Cc5cc(ccc5CN4)O

H bond donor:10

H bond acceptor:20

XLogP3:0.0

Bulk/Fine:F