
 CHEMBL3780248

 61 64  0  0  0  0  0  0  0  0999 V2000
   -0.9765    0.6154    1.5187 C   0  0  0  0  0
   -0.8222    2.1099    1.2599 C   0  0  0  0  0
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    3.1573   -1.1112   -2.4637 C   0  0  0  0  0
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    3.1808   -0.5784   -4.5923 N   0  0  0  0  0
    4.4325   -0.9052   -4.1570 C   0  0  0  0  0
    4.4653   -1.1959   -2.8790 N   0  0  0  0  0
    5.7731   -0.9771   -5.2008 Cl  0  0  0  0  0
    2.7510   -0.2369   -5.9380 C   0  0  0  0  0
    2.8545    1.2434   -6.2099 C   0  0  0  0  0
    4.0190    1.7883   -6.7713 C   0  0  0  0  0
    4.1176    3.1583   -7.0188 C   0  0  0  0  0
    3.0516    4.0007   -6.7148 C   0  0  0  0  0
    1.8867    3.4745   -6.1607 C   0  0  0  0  0
    1.7885    2.1043   -5.9067 C   0  0  0  0  0
    4.4946    0.0475   -0.0061 N   0  0  0  0  0
    5.0792    0.4730    1.1663 C   0  0  0  0  0
    4.4708    0.4784    2.2364 O   0  0  0  0  0
    6.5660    0.8541    1.0509 C   0  0  0  0  0
    6.8164    2.0359    0.1259 C   0  0  0  0  0
    7.7969    2.9464    0.8635 C   0  0  0  0  0
    7.7181    2.4931    2.2932 C   0  0  0  0  0
    8.1762    3.0763    3.2597 O   0  0  0  0  0
    7.0802    1.2816    2.3279 N   0  0  0  0  0
   -0.7573    2.1091   -1.2840 C   0  0  0  0  0
   -1.9053    2.5335   -1.3856 O   0  0  0  0  0
   -0.0871    1.7108   -2.4076 N   0  0  0  0  0
   -1.2918    0.3889    2.5408 H   0  0  0  0  0
   -1.7150    0.1900    0.8287 H   0  0  0  0  0
   -0.2973    2.5714    2.1059 H   0  0  0  0  0
   -1.7850    2.6144    1.1426 H   0  0  0  0  0
    0.6763    3.0590   -0.0066 H   0  0  0  0  0
    0.3864   -0.9564    0.8470 H   0  0  0  0  0
    1.0636    0.1425    2.0807 H   0  0  0  0  0
    2.8182   -0.6886    0.9440 H   0  0  0  0  0
    1.7287   -1.7108   -1.0191 H   0  0  0  0  0
    3.3518   -2.3328   -0.7575 H   0  0  0  0  0
    1.2751   -0.5746   -3.5792 H   0  0  0  0  0
    1.7114   -0.5697   -6.0500 H   0  0  0  0  0
    3.3368   -0.8189   -6.6573 H   0  0  0  0  0
    4.8633    1.1531   -7.0285 H   0  0  0  0  0
    5.0277    3.5677   -7.4503 H   0  0  0  0  0
    3.1293    5.0671   -6.9107 H   0  0  0  0  0
    1.0546    4.1347   -5.9276 H   0  0  0  0  0
    0.8681    1.7153   -5.4785 H   0  0  0  0  0
    4.9509    0.2095   -0.9007 H   0  0  0  0  0
    7.1356   -0.0330    0.7514 H   0  0  0  0  0
    5.8922    2.5841   -0.0929 H   0  0  0  0  0
    7.2284    1.7112   -0.8359 H   0  0  0  0  0
    8.8209    2.8152    0.5020 H   0  0  0  0  0
    7.5017    3.9957    0.7816 H   0  0  0  0  0
    6.8301    0.8491    3.2101 H   0  0  0  0  0
    0.9302    1.7664   -2.4022 H   0  0  0  0  0
   -0.5696    1.8624   -3.2819 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 39  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 23  1  0  0  0
  8  9  1  0  0  0
  8 42  1  0  0  0
  9 10  1  0  0  0
  9 43  1  0  0  0
  9 44  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
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 12 13  1  0  0  0
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 29 30  2  0  0  0
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 32 34  1  0  0  0
 32 33  2  0  0  0
 34 60  1  0  0  0
 34 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3780248

>  <PubChem CID>
127032258

>  <Formula>
C23H27ClN6O4

>  <Molecular Weight>
486.957000

>  <IUPAC Name>
(2S)-N-[(2S)-3-(1-benzyl-2-chloroimidazol-4-yl)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

>  <XlogP>
0.700

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(N(C1)C(=O)C(CC2=CN(C(=N2)Cl)CC3=CC=CC=C3)NC(=O)C4CCC(=O)N4)C(=O)N

>  <Isomeric SMILES>
C1C[C@H](N(C1)C(=O)[C@H](CC2=CN(C(=N2)Cl)CC3=CC=CC=C3)NC(=O)[C@@H]4CCC(=O)N4)C(=O)N

>  <InChI Std. ID>
InChI=1S/C23H27ClN6O4/c24-23-26-15(13-29(23)12-14-5-2-1-3-6-14)11-17(28-21(33)16-8-9-19(31)27-16)22(34)30-10-4-7-18(30)20(25)32/h1-3,5-6,13,16-18H,4,7-12H2,(H2,25,32)(H,27,31)(H,28,33)/t16-,17-,18-/m0/s1

>  <InChI Key>
ARZRCJCTMNAFMV-BZSNNMDCSA-N

