
 SCHEMBL2683742

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

>  <Chemical Name>
SCHEMBL2683742

>  <PubChem CID>
67496176

>  <Formula>
C29H38N4O2

>  <Molecular Weight>
474.649000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCN(C1)CCCCNC(=O)C2C3C=CC(C2C(=O)NCCN4C=CC5=CC=CC=C54)C36CC6

>  <Isomeric SMILES>
C1CCN(C1)CCCCNC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)NCCN4C=CC5=CC=CC=C54)C36CC6

>  <InChI Std. ID>
InChI=1S/C29H38N4O2/c34-27(30-14-3-4-16-32-17-5-6-18-32)25-22-9-10-23(29(22)12-13-29)26(25)28(35)31-15-20-33-19-11-21-7-1-2-8-24(21)33/h1-2,7-11,19,22-23,25-26H,3-6,12-18,20H2,(H,30,34)(H,31,35)/t22-,23+,25-,26-/m1/s1

>  <InChI Key>
BTBQJDVHEWEVFA-PZXVYJQKSA-N

