
 CHEMBL1790547

102107  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1790547

>  <PubChem CID>
56672379

>  <Formula>
C40H48N8O6

>  <Molecular Weight>
736.874000

>  <IUPAC Name>


>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCC(C)C1C(=O)N2C(CCC=N2)C(=O)N3C(C=CC=N3)C(=O)N(C(C(=O)N4CCCC4C(=O)NC(C(=O)N1)CC5=CC=CC=C5)CC6=CC=CC=C6)C

>  <Isomeric SMILES>
CC[C@@H](C)[C@H]1C(=O)N2[C@H](CCC=N2)C(=O)N3[C@@H](C=CC=N3)C(=O)N([C@@H](C(=O)N4CCC[C@H]4C(=O)N[C@@H](C(=O)N1)CC5=CC=CC=C5)CC6=CC=CC=C6)C

>  <InChI Std. ID>
InChI=1S/C40H48N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-11,14-18,21-22,26,29-34H,4,12-13,19-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29-,30+,31+,32-,33-,34+/m1/s1

>  <InChI Key>
ADDAICAYUGEWHC-FMLBVUFZSA-N

