
 CHEMBL388350

 58 60  0  0  0  0  0  0  0  0999 V2000
    5.4727    5.2736   -5.5266 C   0  0  0  0  0
    4.5688    4.2214   -4.8891 C   0  0  0  0  0
    4.1695    3.1596   -5.9154 C   0  0  0  0  0
    5.2382    3.5929   -3.7043 C   0  0  0  0  0
    6.0802    2.5806   -3.7095 N   0  0  0  0  0
    6.3622    2.3233   -2.3960 C   0  0  0  0  0
    5.6984    3.1988   -1.5633 C   0  0  0  0  0
    5.0182    4.0296   -2.4200 N   0  0  0  0  0
    5.6386    3.2596   -0.0699 C   0  0  0  0  0
    5.4364    4.6544    0.5490 C   0  0  0  0  0
    5.3175    4.5396    2.0888 C   0  0  0  0  0
    5.5186    3.4718    2.6753 O   0  0  0  0  0
    4.9973    5.6788    2.8019 N   0  0  0  0  0
    4.6343    6.9862    2.2695 C   0  0  0  0  0
    4.4379    7.8718    3.4886 C   0  0  0  0  0
    3.9910    6.8921    4.5657 C   0  0  0  0  0
    4.7868    5.6250    4.2532 C   0  0  0  0  0
    6.1499    5.5906    4.9710 C   0  0  0  0  0
    6.7558    6.5807    5.3696 O   0  0  0  0  0
    6.7117    4.3463    5.0608 N   0  0  0  0  0
    6.5491    5.5545    0.2376 N   0  0  0  0  0
    6.4514    6.5354   -0.7194 C   0  0  0  0  0
    5.4354    6.6967   -1.3891 O   0  0  0  0  0
    7.6307    7.4929   -0.7580 C   0  0  0  0  0
    8.9968    6.8105   -0.8140 C   0  0  0  0  0
    9.9504    7.8982   -1.2885 C   0  0  0  0  0
    9.0580    8.7259   -2.1714 C   0  0  0  0  0
    9.4686    9.5995   -2.9253 O   0  0  0  0  0
    7.6041    8.3790   -2.0059 C   0  0  0  0  0
    5.7287    6.0590   -4.8070 H   0  0  0  0  0
    4.9727    5.7498   -6.3775 H   0  0  0  0  0
    6.4098    4.8339   -5.8871 H   0  0  0  0  0
    3.6493    4.7182   -4.5521 H   0  0  0  0  0
    5.0459    2.6430   -6.3244 H   0  0  0  0  0
    3.6256    3.6114   -6.7518 H   0  0  0  0  0
    3.5197    2.4016   -5.4630 H   0  0  0  0  0
    7.0147    1.5060   -2.1160 H   0  0  0  0  0
    4.4773    4.8510   -2.1687 H   0  0  0  0  0
    6.5640    2.8192    0.3259 H   0  0  0  0  0
    4.8219    2.6006    0.2545 H   0  0  0  0  0
    4.4958    5.0815    0.1810 H   0  0  0  0  0
    3.7110    6.8779    1.6919 H   0  0  0  0  0
    5.4194    7.3841    1.6254 H   0  0  0  0  0
    5.3901    8.3342    3.7750 H   0  0  0  0  0
    3.7149    8.6726    3.3128 H   0  0  0  0  0
    4.1541    7.2790    5.5759 H   0  0  0  0  0
    2.9188    6.6923    4.4466 H   0  0  0  0  0
    4.2193    4.7281    4.5280 H   0  0  0  0  0
    6.3924    3.6176    4.4225 H   0  0  0  0  0
    7.6606    4.2885    5.4039 H   0  0  0  0  0
    7.4006    5.4450    0.7751 H   0  0  0  0  0
    7.5723    8.1271    0.1375 H   0  0  0  0  0
    8.9842    5.9745   -1.5239 H   0  0  0  0  0
    9.3068    6.4145    0.1587 H   0  0  0  0  0
   10.2967    8.5167   -0.4541 H   0  0  0  0  0
   10.7955    7.4875   -1.8438 H   0  0  0  0  0
    7.0038    9.2780   -1.8485 H   0  0  0  0  0
    7.2650    7.8428   -2.8974 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 21  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 17  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 44  1  0  0  0
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 17 48  1  0  0  0
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 21 22  1  0  0  0
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 22 24  1  0  0  0
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 24 25  1  0  0  0
 24 52  1  0  0  0
 25 26  1  0  0  0
 25 53  1  0  0  0
 25 54  1  0  0  0
 26 27  1  0  0  0
 26 55  1  0  0  0
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 27 28  2  0  0  0
 29 57  1  0  0  0
 29 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL388350

>  <PubChem CID>
44422110

>  <Formula>
C20H29N5O4

>  <Molecular Weight>
403.483000

>  <IUPAC Name>
(2S)-1-[(2S)-2-[[(1S)-3-oxocyclopentanecarbonyl]amino]-3-(2-propan-2-yl-1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide

>  <XlogP>
-1.000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)C1=NC=C(N1)CC(C(=O)N2CCCC2C(=O)N)NC(=O)C3CCC(=O)C3

>  <Isomeric SMILES>
CC(C)C1=NC=C(N1)C[C@@H](C(=O)N2CCC[C@H]2C(=O)N)NC(=O)[C@H]3CCC(=O)C3

>  <InChI Std. ID>
InChI=1S/C20H29N5O4/c1-11(2)18-22-10-13(23-18)9-15(24-19(28)12-5-6-14(26)8-12)20(29)25-7-3-4-16(25)17(21)27/h10-12,15-16H,3-9H2,1-2H3,(H2,21,27)(H,22,23)(H,24,28)/t12-,15-,16-/m0/s1

>  <InChI Key>
HFMCVIZOMVYWSL-RCBQFDQVSA-N

