
 CHEMBL382197

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL382197

>  <PubChem CID>
44409910

>  <Formula>
C28H31NO4S

>  <Molecular Weight>
477.619000

>  <IUPAC Name>
5-[3-[(2S)-2-[3-hydroxy-4-(3-phenylphenyl)butyl]-5-oxopyrrolidin-1-yl]propyl]thiophene-2-carboxylic acid

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(=O)N(C1CCC(CC2=CC=CC(=C2)C3=CC=CC=C3)O)CCCC4=CC=C(S4)C(=O)O

>  <Isomeric SMILES>
C1CC(=O)N([C@H]1CCC(CC2=CC=CC(=C2)C3=CC=CC=C3)O)CCCC4=CC=C(S4)C(=O)O

>  <InChI Std. ID>
InChI=1S/C28H31NO4S/c30-24(19-20-6-4-9-22(18-20)21-7-2-1-3-8-21)13-11-23-12-16-27(31)29(23)17-5-10-25-14-15-26(34-25)28(32)33/h1-4,6-9,14-15,18,23-24,30H,5,10-13,16-17,19H2,(H,32,33)/t23-,24?/m0/s1

>  <InChI Key>
BCBYBNIDJGIOQL-UXMRNZNESA-N

