
 CHEMBL2112250

110116  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2112250

>  <PubChem CID>
10462867

>  <Formula>
C42H54N8O6

>  <Molecular Weight>
766.944000

>  <IUPAC Name>


>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C1C(=O)N2CCCCC2C(=O)N3CCCCC3C(=O)NC(C(=O)N4CCCC4C(=O)NC(C(=O)N1)CC5=CC=CC6=CC=CC=C65)CC7=CN=CN7

>  <Isomeric SMILES>
CC[C@H](C)[C@H]1C(=O)N2CCCC[C@@H]2C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(=O)N1)CC5=CC=CC6=CC=CC=C65)CC7=CN=CN7

>  <InChI Std. ID>
InChI=1S/C42H54N8O6/c1-3-26(2)36-42(56)50-20-9-7-17-35(50)41(55)49-19-8-6-16-33(49)39(53)46-32(23-29-24-43-25-44-29)40(54)48-21-11-18-34(48)38(52)45-31(37(51)47-36)22-28-14-10-13-27-12-4-5-15-30(27)28/h4-5,10,12-15,24-26,31-36H,3,6-9,11,16-23H2,1-2H3,(H,43,44)(H,45,52)(H,46,53)(H,47,51)/t26-,31+,32+,33-,34-,35+,36-/m0/s1

>  <InChI Key>
FZODYNLXPKUMGF-YCTRJVDCSA-N

