
 SCHEMBL2683414

 72 76  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2683414

>  <PubChem CID>
67495981

>  <Formula>
C28H39N3O2

>  <Molecular Weight>
449.639000

>  <IUPAC Name>
(1R,2R,3R,4S)-3-N-[(3,5-dimethylphenyl)methyl]-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC(=C1)CNC(=O)C2C3C=CC(C2C(=O)NCCCCN4CCCC4)C35CC5)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)CNC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN4CCCC4)C35CC5)C

>  <InChI Std. ID>
InChI=1S/C28H39N3O2/c1-19-15-20(2)17-21(16-19)18-30-27(33)25-23-8-7-22(28(23)9-10-28)24(25)26(32)29-11-3-4-12-31-13-5-6-14-31/h7-8,15-17,22-25H,3-6,9-14,18H2,1-2H3,(H,29,32)(H,30,33)/t22-,23+,24-,25-/m1/s1

>  <InChI Key>
BZMMOYJTWDOSPT-ZFFYZDHPSA-N

