
 CHEMBL1790938

111117  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1790938

>  <PubChem CID>
56671648

>  <Formula>
C41H55N9O6

>  <Molecular Weight>
769.948000

>  <IUPAC Name>


>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(C)C1C(=O)N2CCCCC2C(=O)N3CCCCC3C(=O)N(C(C(=O)N4CCCC4C(=O)NC(C(=O)N1)CC5=CNC6=CC=CC=C65)CC7=CN=CN7)C

>  <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=CNC6=CC=CC=C65)CC7=CN=CN7)C

>  <InChI Std. ID>
InChI=1S/C41H55N9O6/c1-4-25(2)35-41(56)50-18-10-8-15-33(50)39(54)49-17-9-7-14-32(49)38(53)47(3)34(21-27-23-42-24-44-27)40(55)48-19-11-16-31(48)37(52)45-30(36(51)46-35)20-26-22-43-29-13-6-5-12-28(26)29/h5-6,12-13,22-25,30-35,43H,4,7-11,14-21H2,1-3H3,(H,42,44)(H,45,52)(H,46,51)/t25-,30-,31+,32+,33-,34-,35+/m1/s1

>  <InChI Key>
DYASWPQNHOGBMN-KOMPESINSA-N

