KP 736

114875-57-9

MFCD00875766

C21 H18 N8 O8 S4

638.685

InChI=1S/C21H18N8O8S4/c22-21-24-10(7-40-21)14(26-37-4-9-1-11(30)12(31)3-28(9)36)17(32)25-15-18(33)29-16(20(34)35)8(6-39-19(15)29)5-38-13-2-23-27-41-13/h1-3,7,15,19,31,36H,4-6H2,(H2,22,24)(H,25,32)(H,34,35)/b26-14-/t15-,19-/m1/s1

InChIKey=PKNTVKPWSREWQQ-ARLAXHMGSA-N

c1c(n(cc(c1=O)O)O)CO/N=C(/c2csc(n2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSc5cnns5)C(=O)O

H bond donor:5

H bond acceptor:16

XLogP3:0.0

Bulk/Fine:F