
 CHEMBL315994

 74 77  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL315994

>  <PubChem CID>
44322097

>  <Formula>
C30H32N4O6S2

>  <Molecular Weight>
608.728000

>  <IUPAC Name>
2-[3-[[4-[2-(benzylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanyl-2-propylimidazol-4-yl]-2-hydroxyacetic acid

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4=CC=CC=C4)C(C(=O)O)O)SC

>  <Isomeric SMILES>
CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)NCC4=CC=CC=C4)C(C(=O)O)O)SC

>  <InChI Std. ID>
InChI=1S/C30H32N4O6S2/c1-3-9-25-32-28(41-2)26(27(35)29(36)37)34(25)19-21-14-16-22(17-15-21)23-12-7-8-13-24(23)42(39,40)33-30(38)31-18-20-10-5-4-6-11-20/h4-8,10-17,27,35H,3,9,18-19H2,1-2H3,(H,36,37)(H2,31,33,38)

>  <InChI Key>
ABGUYQYTMFLCKQ-UHFFFAOYSA-N

