
 CHEMBL206774

 68 70  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
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  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL206774

>  <PubChem CID>
10275911

>  <Formula>
C27H35NO5

>  <Molecular Weight>
453.579000

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

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(=O)N(C1CCC(CC2=CC(=CC=C2)OC3=CC=CC=C3)O)CCCCCCC(=O)O

>  <Isomeric SMILES>
C1CC(=O)N([C@H]1CCC(CC2=CC(=CC=C2)OC3=CC=CC=C3)O)CCCCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C27H35NO5/c29-23(19-21-9-8-12-25(20-21)33-24-10-4-3-5-11-24)16-14-22-15-17-26(30)28(22)18-7-2-1-6-13-27(31)32/h3-5,8-12,20,22-23,29H,1-2,6-7,13-19H2,(H,31,32)/t22-,23?/m0/s1

>  <InChI Key>
CRNNORZZZWLJSM-NQCNTLBGSA-N

