
 CHEMBL198263

 55 58  0  0  0  0  0  0  0  0999 V2000
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    5.6612   -2.7707   -1.6104 C   0  0  0  0  0
    6.0556   -4.0415   -1.2889 N   0  0  0  0  0
    4.9645   -4.6684   -0.9154 C   0  0  0  0  0
    3.8787   -3.8319   -0.9586 N   0  0  0  0  0
    4.9584   -6.1332   -0.5188 C   0  0  0  0  0
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    3.7386   -6.9742   -0.8406 C   0  0  0  0  0
    4.5446    0.0153   -0.0181 N   0  0  0  0  0
    4.7634    0.4893    1.2552 C   0  0  0  0  0
    3.9433    0.3630    2.1617 O   0  0  0  0  0
    6.1496    1.1171    1.4780 C   0  0  0  0  0
    7.0327    0.2082    2.3229 C   0  0  0  0  0
    8.4498    0.4576    1.8174 C   0  0  0  0  0
    8.2405    0.9847    0.4229 C   0  0  0  0  0
    9.1019    1.1803   -0.4146 O   0  0  0  0  0
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    0.4254    2.3887   -2.9349 N   0  0  0  0  0
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   -1.6790   -0.6903   -0.6695 H   0  0  0  0  0
   -0.9097    1.5167    1.2834 H   0  0  0  0  0
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    0.4761    2.5035   -0.3559 H   0  0  0  0  0
    0.5043   -1.6048   -0.4394 H   0  0  0  0  0
    0.7671   -0.7984    1.1296 H   0  0  0  0  0
    2.8690   -1.1129    0.4290 H   0  0  0  0  0
    3.7831   -0.8677   -2.5017 H   0  0  0  0  0
    2.4099   -1.8152   -1.9677 H   0  0  0  0  0
    6.3771   -2.0403   -1.9678 H   0  0  0  0  0
    2.9358   -4.0981   -0.7175 H   0  0  0  0  0
    5.9289   -6.6144   -0.5850 H   0  0  0  0  0
    3.3855   -5.8916    1.0715 H   0  0  0  0  0
    4.3947   -7.3880    1.2350 H   0  0  0  0  0
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    2.8901   -6.5141   -1.3321 H   0  0  0  0  0
    5.2038    0.2921   -0.7373 H   0  0  0  0  0
    6.0256    2.1079    1.9284 H   0  0  0  0  0
    6.7710   -0.8475    2.1811 H   0  0  0  0  0
    6.9374    0.4221    3.3926 H   0  0  0  0  0
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    9.0432   -0.4593    1.8073 H   0  0  0  0  0
    6.6315    1.8652   -0.5261 H   0  0  0  0  0
    1.3894    2.5123   -2.6285 H   0  0  0  0  0
    0.2329    2.3975   -3.9260 H   0  0  0  0  0
  1  5  1  0  0  0
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  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 34  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 18  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL198263

>  <PubChem CID>
11235037

>  <Formula>
C19H26N6O4

>  <Molecular Weight>
402.455000

>  <IUPAC Name>
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(2-cyclopropyl-1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

>  <XlogP>
-1.900

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(N(C1)C(=O)C(CC2=CN=C(N2)C3CC3)NC(=O)C4CCC(=O)N4)C(=O)N

>  <Isomeric SMILES>
C1C[C@H](N(C1)C(=O)[C@H](CC2=CN=C(N2)C3CC3)NC(=O)[C@@H]4CCC(=O)N4)C(=O)N

>  <InChI Std. ID>
InChI=1S/C19H26N6O4/c20-16(27)14-2-1-7-25(14)19(29)13(24-18(28)12-5-6-15(26)23-12)8-11-9-21-17(22-11)10-3-4-10/h9-10,12-14H,1-8H2,(H2,20,27)(H,21,22)(H,23,26)(H,24,28)/t12-,13-,14-/m0/s1

>  <InChI Key>
IZHGNNQVQWPRDQ-IHRRRGAJSA-N

