
 CHEMBL3959605

 64 65  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3959605

>  <PubChem CID>
72950260

>  <Formula>
C24H33F2NO4

>  <Molecular Weight>
437.528000

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

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(N(C(=O)C1(F)F)CCCCCCC(=O)O)C=CC(CCCCC2=CC=CC=C2)O

>  <Isomeric SMILES>
C1[C@@H](N(C(=O)C1(F)F)CCCCCCC(=O)O)/C=C/[C@H](CCCCC2=CC=CC=C2)O

>  <InChI Std. ID>
InChI=1S/C24H33F2NO4/c25-24(26)18-20(27(23(24)31)17-9-2-1-6-14-22(29)30)15-16-21(28)13-8-7-12-19-10-4-3-5-11-19/h3-5,10-11,15-16,20-21,28H,1-2,6-9,12-14,17-18H2,(H,29,30)/b16-15+/t20-,21-/m0/s1

>  <InChI Key>
BBUZBTBHUCTEBZ-KUOZIZRBSA-N

