
 CHEMBL46395

 60 61  0  0  0  0  0  0  0  0999 V2000
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    0.4267   -1.7252    1.1517 H   0  0  0  0  0
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    3.2776   -3.5758   -4.5606 H   0  0  0  0  0
    4.2752   -7.3527   -6.3883 H   0  0  0  0  0
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    6.9453    1.7058   -3.8578 H   0  0  0  0  0
   10.1618    2.6144   -3.5265 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL46395

>  <PubChem CID>
10113454

>  <Formula>
C22H30F3NO4

>  <Molecular Weight>
429.480000

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

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)C(F)(F)F)O)CCCCCCC(=O)O

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

>  <InChI Std. ID>
InChI=1S/C22H30F3NO4/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/h5-7,14,18-19,27H,1-4,8-13,15H2,(H,29,30)/t18-,19+/m0/s1

>  <InChI Key>
BGIIQHLOAQSIFC-RBUKOAKNSA-N

