
 CHEMBL107238

 60 64  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL107238

>  <PubChem CID>
9979181

>  <Formula>
C22H30N4O4

>  <Molecular Weight>
414.506000

>  <IUPAC Name>
(3S,8aS)-7-cyclohexyl-6-[(5R)-2,6-dioxo-1,7-diazaspiro[4.4]nonan-7-yl]-5-oxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxamide

>  <XlogP>
0.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)C2=C(C(=O)N3C(C2)CCC3C(=O)N)N4CCC5(C4=O)CCC(=O)N5

>  <Isomeric SMILES>
C1CCC(CC1)C2=C(C(=O)N3[C@H](C2)CC[C@H]3C(=O)N)N4CC[C@@]5(C4=O)CCC(=O)N5

>  <InChI Std. ID>
InChI=1S/C22H30N4O4/c23-19(28)16-7-6-14-12-15(13-4-2-1-3-5-13)18(20(29)26(14)16)25-11-10-22(21(25)30)9-8-17(27)24-22/h13-14,16H,1-12H2,(H2,23,28)(H,24,27)/t14-,16-,22+/m0/s1

>  <InChI Key>
UHPPHOTXFKINLG-KHJUTWJGSA-N

