
 CHEMBL208399

 67 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL208399

>  <PubChem CID>
44409712

>  <Formula>
C27H35NO4

>  <Molecular Weight>
437.580000

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

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C27H35NO4/c29-25(20-21-9-8-12-23(19-21)22-10-4-3-5-11-22)16-14-24-15-17-26(30)28(24)18-7-2-1-6-13-27(31)32/h3-5,8-12,19,24-25,29H,1-2,6-7,13-18,20H2,(H,31,32)/t24-,25+/m0/s1

>  <InChI Key>
VPOFGSXFQMDGLT-LOSJGSFVSA-N

