
 CHEMBL280223

 59 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL280223

>  <PubChem CID>
11696697

>  <Formula>
C23H31NO4

>  <Molecular Weight>
385.504000

>  <IUPAC Name>
7-[(2R)-2-[(E)-3-hydroxy-3-(1-phenylcyclopropyl)prop-1-enyl]-5-oxopyrrolidin-1-yl]heptanoic acid

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC(=O)N(C1C=CC(C2(CC2)C3=CC=CC=C3)O)CCCCCCC(=O)O

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

>  <InChI Std. ID>
InChI=1S/C23H31NO4/c25-20(23(15-16-23)18-8-4-3-5-9-18)13-11-19-12-14-21(26)24(19)17-7-2-1-6-10-22(27)28/h3-5,8-9,11,13,19-20,25H,1-2,6-7,10,12,14-17H2,(H,27,28)/b13-11+/t19-,20?/m0/s1

>  <InChI Key>
DVDIXSPSNQPVNX-QHYGYJHXSA-N

