
 CHEMBL81757

 66 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL81757

>  <PubChem CID>
11037976

>  <Formula>
C27H33NO4S

>  <Molecular Weight>
467.624000

>  <IUPAC Name>
(Z)-7-[(1S,2R,3R,4R)-3-[(4-phenylphenyl)methylsulfonylamino]-2-bicyclo[2.2.1]heptanyl]hept-5-enoic acid

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2CC1C(C2NS(=O)(=O)CC3=CC=C(C=C3)C4=CC=CC=C4)CC=CCCCC(=O)O

>  <Isomeric SMILES>
C1C[C@@H]2C[C@H]1[C@H]([C@@H]2NS(=O)(=O)CC3=CC=C(C=C3)C4=CC=CC=C4)C/C=C\CCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C27H33NO4S/c29-26(30)11-7-2-1-6-10-25-23-16-17-24(18-23)27(25)28-33(31,32)19-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h1,3-6,8-9,12-15,23-25,27-28H,2,7,10-11,16-19H2,(H,29,30)/b6-1-/t23-,24+,25+,27+/m0/s1

>  <InChI Key>
APJPFVXOKVQGFK-RHMQENHLSA-N

