
 CHEMBL45008

 58 59  0  0  0  0  0  0  0  0999 V2000
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    5.2866    3.7946   -1.0876 H   0  0  0  0  0
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   -1.8358   -8.2871   -2.6669 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL45008

>  <PubChem CID>
10202765

>  <Formula>
C22H28F3NO4

>  <Molecular Weight>
427.464000

>  <IUPAC Name>
7-[(2R)-2-[(E,3S)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC(=O)N(C1C=CC(CC2=CC(=CC=C2)C(F)(F)F)O)CCCCCCC(=O)O

>  <Isomeric SMILES>
C1CC(=O)N([C@H]1/C=C/[C@H](CC2=CC(=CC=C2)C(F)(F)F)O)CCCCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C22H28F3NO4/c23-22(24,25)17-7-5-6-16(14-17)15-19(27)11-9-18-10-12-20(28)26(18)13-4-2-1-3-8-21(29)30/h5-7,9,11,14,18-19,27H,1-4,8,10,12-13,15H2,(H,29,30)/b11-9+/t18-,19+/m0/s1

>  <InChI Key>
BODQJJXRLLGDOE-AYLUNBTKSA-N

