
 CHEMBL540001

 72 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL540001

>  <PubChem CID>
45264075

>  <Formula>
C28H38ClN3O2

>  <Molecular Weight>
484.081000

>  <IUPAC Name>
2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(C(=O)NC(CCCC1=CC=CC=C1)C(=O)N2CCC3(CCC4=CC=CC=C43)CC2)N.Cl

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CCCC1=CC=CC=C1)C(=O)N2CCC3(CCC4=CC=CC=C43)CC2)N.Cl

>  <InChI Std. ID>
InChI=1S/C28H37N3O2.ClH/c1-27(2,29)26(33)30-24(14-8-11-21-9-4-3-5-10-21)25(32)31-19-17-28(18-20-31)16-15-22-12-6-7-13-23(22)28;/h3-7,9-10,12-13,24H,8,11,14-20,29H2,1-2H3,(H,30,33);1H/t24-;/m1./s1

>  <InChI Key>
FZIWVQMHLNDEGI-GJFSDDNBSA-N

