
 CHEMBL577346

205210  0  0  0  0  0  0  0  0999 V2000
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 92 94  1  0  0  0
 92 93  2  0  0  0
 94189  1  0  0  0
 95 96  1  0  0  0
 95190  1  0  0  0
 96 98  1  0  0  0
 96 97  2  0  0  0
 98101  1  0  0  0
 98100  1  0  0  0
 98 99  1  0  0  0
 99191  1  0  0  0
 99192  1  0  0  0
 99193  1  0  0  0
100194  1  0  0  0
100195  1  0  0  0
100196  1  0  0  0
101102  1  0  0  0
101197  1  0  0  0
102104  1  0  0  0
102103  2  0  0  0
104111  1  0  0  0
104105  1  0  0  0
104198  1  0  0  0
105106  1  0  0  0
105199  1  0  0  0
105200  1  0  0  0
106107  2  0  0  0
106110  1  0  0  0
107108  1  0  0  0
107201  1  0  0  0
108109  2  0  0  0
109110  1  0  0  0
109202  1  0  0  0
110203  1  0  0  0
111204  1  0  0  0
111205  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL577346

>  <PubChem CID>
16139491

>  <Formula>
C76H94F2N14O19

>  <Molecular Weight>
1545.664000

>  <IUPAC Name>


>  <XlogP>
-0.8

>  <Hydrogen Bond Donors>
18

>  <Hydrogen Bond Acceptors>
23

>  <Canonical SMILES>
CCC1=C(C=CC(=C1)OC)C2=CC=C(C=C2)CC(C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4C)C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C)(CC5=C(C=CC=C5F)F)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(CC6=CN=CN6)N

>  <Isomeric SMILES>
CCC1=C(C=CC(=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)N[C@@H](CC3=CC=C(C=C3)C4=CC=CC=C4C)C(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@](C)(CC5=C(C=CC=C5F)F)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC6=CN=CN6)N

>  <InChI Std. ID>
InChI=1S/C76H94F2N14O19/c1-9-44-31-48(111-8)25-26-50(44)46-23-19-43(20-24-46)30-57(68(104)84-56(65(80)101)29-42-17-21-45(22-18-42)49-14-11-10-13-39(49)2)85-69(105)58(33-62(99)100)86-70(106)59(37-93)87-71(107)63(40(3)94)90-74(110)76(7,34-51-52(77)15-12-16-53(51)78)92-72(108)64(41(4)95)89-60(96)36-82-67(103)55(27-28-61(97)98)88-73(109)75(5,6)91-66(102)54(79)32-47-35-81-38-83-47/h10-26,31,35,38,40-41,54-59,63-64,93-95H,9,27-30,32-34,36-37,79H2,1-8H3,(H2,80,101)(H,81,83)(H,82,103)(H,84,104)(H,85,105)(H,86,106)(H,87,107)(H,88,109)(H,89,96)(H,90,110)(H,91,102)(H,92,108)(H,97,98)(H,99,100)/t40-,41-,54+,55+,56+,57+,58+,59+,63+,64+,76+/m1/s1

>  <InChI Key>
MYDGXJGACGCIOQ-PLQWGJBVSA-N

