
 CHEMBL129089

113118  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL129089

>  <PubChem CID>
10372921

>  <Formula>
C43H58N6O6

>  <Molecular Weight>
754.973000

>  <IUPAC Name>


>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC(C)C1C(=O)N2CCCCC2C(=O)N3CCCCC3C(=O)N(C(C(=O)N4CCCCC4C(=O)NC(C(=O)N1)CC5=CC=CC=C5)CC6=CC=CC=C6)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)N4CCCC[C@H]4C(=O)N[C@@H](C(=O)N1)CC5=CC=CC=C5)CC6=CC=CC=C6)C

>  <InChI Std. ID>
InChI=1S/C43H58N6O6/c1-4-29(2)37-43(55)49-26-16-13-23-35(49)41(53)48-25-15-12-22-34(48)40(52)46(3)36(28-31-19-9-6-10-20-31)42(54)47-24-14-11-21-33(47)39(51)44-32(38(50)45-37)27-30-17-7-5-8-18-30/h5-10,17-20,29,32-37H,4,11-16,21-28H2,1-3H3,(H,44,51)(H,45,50)/t29-,32+,33-,34-,35+,36+,37-/m0/s1

>  <InChI Key>
AYGIPDNOMKZKGS-KDPLRFIXSA-N

