
 SCHEMBL2682956

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL2682956

>  <PubChem CID>
67495723

>  <Formula>
C29H41N3O4

>  <Molecular Weight>
495.664000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=C(C=C1)CCNC(=O)C2C3C=CC(C2C(=O)NCCCCN4CCCC4)C35CC5)OC

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)CCNC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN4CCCC4)C35CC5)OC

>  <InChI Std. ID>
InChI=1S/C29H41N3O4/c1-35-23-10-7-20(19-24(23)36-2)11-15-31-28(34)26-22-9-8-21(29(22)12-13-29)25(26)27(33)30-14-3-4-16-32-17-5-6-18-32/h7-10,19,21-22,25-26H,3-6,11-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22+,25-,26-/m1/s1

>  <InChI Key>
BIYZFYVOOLIHDQ-USXZWKKNSA-N

