
 CHEMBL1790550

105110  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1790550

>  <PubChem CID>
56679085

>  <Formula>
C40H52N8O5

>  <Molecular Weight>
724.907000

>  <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(CCC=N3)C(=O)N(C(C(=O)N4CCCC4C(=O)NC(CN1)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](CCC=N3)C(=O)N([C@@H](C(=O)N4CCC[C@H]4C(=O)N[C@@H](CN1)CC5=CC=CC=C5)CC6=CC=CC=C6)C

>  <InChI Std. ID>
InChI=1S/C40H52N8O5/c1-4-27(2)35-40(53)48-33(19-12-22-43-48)39(52)47-32(18-11-21-42-47)37(50)45(3)34(25-29-16-9-6-10-17-29)38(51)46-23-13-20-31(46)36(49)44-30(26-41-35)24-28-14-7-5-8-15-28/h5-10,14-17,21-22,27,30-35,41H,4,11-13,18-20,23-26H2,1-3H3,(H,44,49)/t27-,30-,31+,32+,33-,34-,35+/m1/s1

>  <InChI Key>
AZZIEIBZYVOPLB-MNTMQBIHSA-N

