
 CHEMBL1774211

140145  0  0  0  0  0  0  0  0999 V2000
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M  CHG  2   7   1  75  -1
M  END

>  <Chemical Name>
CHEMBL1774211

>  <PubChem CID>
52953217

>  <Formula>
C57H65F3N8O7

>  <Molecular Weight>
1031.191000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
6

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CC1=CC(=CC(=[N+]1CCNC(=O)CCCC(=O)NC(=NCCCC(C(=O)NCC2=CC=C(C=C2)O)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N)C)C=CC5=CC6=C7C(=C5)CCCN7CCC6.C(=O)(C(F)(F)F)[O-]

>  <Isomeric SMILES>
CC1=CC(=CC(=[N+]1CCNC(=O)CCCC(=O)NC(=NCCC[C@H](C(=O)NCC2=CC=C(C=C2)O)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)N)C)/C=C/C5=CC6=C7C(=C5)CCCN7CCC6.C(=O)(C(F)(F)F)[O-]

>  <InChI Std. ID>
InChI=1S/C55H64N8O5.C2HF3O2/c1-38-33-41(22-23-42-35-45-17-11-30-62-31-12-18-46(36-42)52(45)62)34-39(2)63(38)32-29-57-49(65)20-9-21-50(66)61-55(56)58-28-10-19-48(53(67)59-37-40-24-26-47(64)27-25-40)60-54(68)51(43-13-5-3-6-14-43)44-15-7-4-8-16-44;3-2(4,5)1(6)7/h3-8,13-16,22-27,33-36,48,51H,9-12,17-21,28-32,37H2,1-2H3,(H6-,56,57,58,59,60,61,64,65,66,67,68);(H,6,7)/t48-;/m1./s1

>  <InChI Key>
BXHZCNWQGSRNJG-AKZQISGYSA-N

