
 CHEMBL1929543

 51 52  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1929543

>  <PubChem CID>
10001791

>  <Formula>
C19H24FNO4S2

>  <Molecular Weight>
413.522000

>  <IUPAC Name>
4-[2-[(4S)-4-[(E,3S)-4-(3-fluorophenyl)-3-hydroxybut-1-enyl]-2-oxo-1,3-thiazolidin-3-yl]ethylsulfanyl]butanoic acid

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C(N(C(=O)S1)CCSCCCC(=O)O)C=CC(CC2=CC(=CC=C2)F)O

>  <Isomeric SMILES>
C1[C@@H](N(C(=O)S1)CCSCCCC(=O)O)/C=C/[C@H](CC2=CC(=CC=C2)F)O

>  <InChI Std. ID>
InChI=1S/C19H24FNO4S2/c20-15-4-1-3-14(11-15)12-17(22)7-6-16-13-27-19(25)21(16)8-10-26-9-2-5-18(23)24/h1,3-4,6-7,11,16-17,22H,2,5,8-10,12-13H2,(H,23,24)/b7-6+/t16-,17+/m0/s1

>  <InChI Key>
QVVZCHHQLGNDIY-YMPXZSTISA-N

