
 CHEMBL208407

 60 61  0  0  0  0  0  0  0  0999 V2000
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   -1.4851   -1.7156   -0.0305 H   0  0  0  0  0
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    0.6686   -1.3179    1.0049 H   0  0  0  0  0
    1.4310   -1.1627   -1.9620 H   0  0  0  0  0
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    3.3509   -1.4722   -0.3396 H   0  0  0  0  0
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    3.7316   -4.4046   -4.0155 H   0  0  0  0  0
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    6.6275    4.0286   -3.5786 H   0  0  0  0  0
    7.3351    2.4212   -3.6451 H   0  0  0  0  0
   10.3125    3.4888   -2.3730 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
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  2 31  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
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  9 18  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL208407

>  <PubChem CID>
44409892

>  <Formula>
C22H33NO4

>  <Molecular Weight>
375.509000

>  <IUPAC Name>
7-[2-(3-hydroxy-5-phenylpentyl)-5-oxopyrrolidin-1-yl]heptanoic acid

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(=O)N(C1CCC(CCC2=CC=CC=C2)O)CCCCCCC(=O)O

>  <Isomeric SMILES>
C1CC(=O)N(C1CCC(CCC2=CC=CC=C2)O)CCCCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C22H33NO4/c24-20(14-11-18-8-4-3-5-9-18)15-12-19-13-16-21(25)23(19)17-7-2-1-6-10-22(26)27/h3-5,8-9,19-20,24H,1-2,6-7,10-17H2,(H,26,27)

>  <InChI Key>
ZGLFHZRPCUXQIP-UHFFFAOYSA-N

