
 BDBM50043061

 79 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BDBM50043061

>  <PubChem CID>
91929285

>  <Formula>
C31H39N3O5S

>  <Molecular Weight>
565.729000

>  <IUPAC Name>
N-[2-[(1R,3S,4S)-3-hydroxy-7,7-dimethyl-4-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-3-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1(C2CCC1(C(C2)(CCNC(=O)C3=CNC(=O)C=C3)O)CS(=O)(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)C

>  <Isomeric SMILES>
CC1([C@@H]2CC[C@]1([C@](C2)(CCNC(=O)C3=CNC(=O)C=C3)O)CS(=O)(=O)N4CCC5(CC4)C=CC6=CC=CC=C56)C

>  <InChI Std. ID>
InChI=1S/C31H39N3O5S/c1-28(2)24-10-12-30(28,31(37,19-24)13-16-32-27(36)23-7-8-26(35)33-20-23)21-40(38,39)34-17-14-29(15-18-34)11-9-22-5-3-4-6-25(22)29/h3-9,11,20,24,37H,10,12-19,21H2,1-2H3,(H,32,36)(H,33,35)/t24-,30+,31-/m1/s1

>  <InChI Key>
BLAVMBRSJZQEHW-XGJRVREISA-N

