
 CHEMBL437060

118124  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL437060

>  <PubChem CID>
23277785

>  <Formula>
C48H58N6O6

>  <Molecular Weight>
815.028000

>  <IUPAC Name>


>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCCCCCCC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4)NC(=O)CC5C(=O)N6C7CCC(C6C(=O)N5)CC7

>  <Isomeric SMILES>
CCCCCCCC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)NC(CC3=CC=CC=C3)C(=O)N(C)CC4=CC=CC=C4)NC(=O)CC5C(=O)N6C7CCC(C6C(=O)N5)CC7

>  <InChI Std. ID>
InChI=1S/C48H58N6O6/c1-3-4-5-6-13-22-43(56)53-31-35(37-20-14-15-21-41(37)53)28-38(49-42(55)29-40-48(60)54-36-25-23-34(24-26-36)44(54)46(58)51-40)45(57)50-39(27-32-16-9-7-10-17-32)47(59)52(2)30-33-18-11-8-12-19-33/h7-12,14-21,31,34,36,38-40,44H,3-6,13,22-30H2,1-2H3,(H,49,55)(H,50,57)(H,51,58)

>  <InChI Key>
LMKXUGXJFNHYIM-UHFFFAOYSA-N

