
 CHEMBL389037

 64 67  0  0  0  0  0  0  0  0999 V2000
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    0.0623    7.0212    2.1952 H   0  0  0  0  0
    1.1454    4.8824    2.8277 H   0  0  0  0  0
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  1  7  1  0  0  0
  1  2  1  0  0  0
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  1 36  1  0  0  0
  2  3  1  0  0  0
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  2 38  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4 40  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
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 34 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL389037

>  <PubChem CID>
44422169

>  <Formula>
C24H30N6O4

>  <Molecular Weight>
466.542000

>  <IUPAC Name>
(2S)-N-[(2S)-3-(1-benzylimidazol-4-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-6-oxopiperidine-2-carboxamide

>  <XlogP>
0.100

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(NC(=O)C1)C(=O)NC(CC2=CN(C=N2)CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)N

>  <Isomeric SMILES>
C1C[C@H](NC(=O)C1)C(=O)N[C@@H](CC2=CN(C=N2)CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N

>  <InChI Std. ID>
InChI=1S/C24H30N6O4/c25-22(32)20-9-5-11-30(20)24(34)19(28-23(33)18-8-4-10-21(31)27-18)12-17-14-29(15-26-17)13-16-6-2-1-3-7-16/h1-3,6-7,14-15,18-20H,4-5,8-13H2,(H2,25,32)(H,27,31)(H,28,33)/t18-,19-,20-/m0/s1

>  <InChI Key>
ICNQGPKTIHCJTK-UFYCRDLUSA-N

