
 CHEMBL336195

 73 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL336195

>  <PubChem CID>
10480543

>  <Formula>
C27H39N3O3S

>  <Molecular Weight>
485.687000

>  <IUPAC Name>
3-amino-1-[(1R,3S,4S)-7,7-dimethyl-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]pyrrolidin-2-one

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)N3CCC(C3=O)N)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@H](C2)N3CCC(C3=O)N)CS(=O)(=O)N4CCC5(CCC6=CC=CC=C65)CC4)C

>  <InChI Std. ID>
InChI=1S/C27H39N3O3S/c1-25(2)20-8-11-27(25,23(17-20)30-14-9-22(28)24(30)31)18-34(32,33)29-15-12-26(13-16-29)10-7-19-5-3-4-6-21(19)26/h3-6,20,22-23H,7-18,28H2,1-2H3/t20-,22?,23+,27-/m1/s1

>  <InChI Key>
CXEXWHKSWBBCDW-XPGHFMRJSA-N

