
 CHEMBL1099332

 79 82  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1099332

>  <PubChem CID>
25191880

>  <Formula>
C34H37NO6S

>  <Molecular Weight>
587.731000

>  <IUPAC Name>
4-[2-(2-carboxyethyl)-3-[6-(3-pyridin-4-yl-5-thiophen-3-ylphenoxy)hexyl]phenoxy]butanoic acid

>  <XlogP>
7.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC(=C(C(=C1)OCCCC(=O)O)CCC(=O)O)CCCCCCOC2=CC(=CC(=C2)C3=CSC=C3)C4=CC=NC=C4

>  <Isomeric SMILES>
C1=CC(=C(C(=C1)OCCCC(=O)O)CCC(=O)O)CCCCCCOC2=CC(=CC(=C2)C3=CSC=C3)C4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C34H37NO6S/c36-33(37)10-6-19-41-32-9-5-8-26(31(32)11-12-34(38)39)7-3-1-2-4-18-40-30-22-28(25-13-16-35-17-14-25)21-29(23-30)27-15-20-42-24-27/h5,8-9,13-17,20-24H,1-4,6-7,10-12,18-19H2,(H,36,37)(H,38,39)

>  <InChI Key>
FBSYEMBBPSTFMK-UHFFFAOYSA-N

