DWC 751

148098-42-4

MFCD00932323

C21 H20 N8 O5 S2 . H2 O4 S

626.65

InChI=1S/C21H20N8O5S2.H2O4S/c1-27-12-5-3-4-6-13(12)28(26-27)7-10-8-35-19-15(18(31)29(19)16(10)20(32)33)24-17(30)14(25-34-2)11-9-36-21(22)23-11;1-5(2,3)4/h3-6,9,15,19H,7-8H2,1-2H3,(H3-,22,23,24,30,32,33);(H2,1,2,3,4)/b25-14-;/t15-,19-;/m1./s1

InChIKey=VARUIFAKBWGHQS-CUFKYSSZSA-N

Cn1c2ccccc2[n+](n1)CC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OC)/c5csc(n5)N)SC3)C(=O)[O-].OS(=O)(=O)O

H bond donor:2

H bond acceptor:13

XLogP3:-2.0

Bulk/Fine:F