
 CHEMBL382080

 64 67  0  0  0  0  0  0  0  0999 V2000
    4.4788    2.8935    7.8305 C   0  0  0  0  0
    3.5030    4.0196    7.5002 C   0  0  0  0  0
    3.5989    4.4485    6.0343 C   0  0  0  0  0
    3.4381    3.2702    5.0563 C   0  0  0  0  0
    4.4493    2.1655    5.4166 C   0  0  0  0  0
    4.3342    1.7156    6.8732 C   0  0  0  0  0
    2.0074    2.7912    4.9922 C   0  0  0  0  0
    0.9193    3.5227    5.1483 N   0  0  0  0  0
   -0.1426    2.6662    5.0100 C   0  0  0  0  0
    0.2943    1.3865    4.7644 C   0  0  0  0  0
    1.6611    1.4925    4.7158 N   0  0  0  0  0
   -0.4031    0.0803    4.5688 C   0  0  0  0  0
   -0.4991   -0.7722    5.8518 C   0  0  0  0  0
    0.8860   -1.2493    6.3680 C   0  0  0  0  0
    1.9202   -1.0809    5.7122 O   0  0  0  0  0
    0.9171   -1.9783    7.5422 N   0  0  0  0  0
   -0.2081   -2.5761    8.2483 C   0  0  0  0  0
    0.4100   -3.3108    9.4317 C   0  0  0  0  0
    1.8322   -3.6054    8.9690 C   0  0  0  0  0
    2.1855   -2.3677    8.1498 C   0  0  0  0  0
    2.7153   -1.2233    9.0445 C   0  0  0  0  0
    2.1152   -0.1712    9.2514 O   0  0  0  0  0
    3.9226   -1.4525    9.6435 N   0  0  0  0  0
   -1.2584   -0.0837    6.8982 N   0  0  0  0  0
   -2.6366   -0.0941    6.9029 C   0  0  0  0  0
   -3.2864   -0.6340    6.0111 O   0  0  0  0  0
   -3.2817    0.7165    8.0379 C   0  0  0  0  0
   -4.7687    0.4232    8.1987 C   0  0  0  0  0
   -5.0364    0.5817    9.6910 C   0  0  0  0  0
   -3.6914    0.3214   10.3140 C   0  0  0  0  0
   -3.4674    0.1273   11.4953 O   0  0  0  0  0
   -2.7319    0.3893    9.3300 N   0  0  0  0  0
    5.5054    3.2766    7.7792 H   0  0  0  0  0
    4.3169    2.5544    8.8599 H   0  0  0  0  0
    3.7100    4.8810    8.1454 H   0  0  0  0  0
    2.4805    3.6947    7.7262 H   0  0  0  0  0
    2.8570    5.2304    5.8324 H   0  0  0  0  0
    4.5826    4.9083    5.8701 H   0  0  0  0  0
    3.6832    3.6339    4.0491 H   0  0  0  0  0
    4.3514    1.2997    4.7520 H   0  0  0  0  0
    5.4638    2.5532    5.2524 H   0  0  0  0  0
    3.3690    1.2248    7.0408 H   0  0  0  0  0
    5.1075    0.9697    7.0894 H   0  0  0  0  0
   -1.1613    3.0182    5.1068 H   0  0  0  0  0
    2.2965    0.7118    4.5972 H   0  0  0  0  0
    0.1155   -0.4902    3.7874 H   0  0  0  0  0
   -1.4112    0.2802    4.1841 H   0  0  0  0  0
   -1.0463   -1.6870    5.5879 H   0  0  0  0  0
   -0.7197   -3.2600    7.5640 H   0  0  0  0  0
   -0.9101   -1.8189    8.5962 H   0  0  0  0  0
    0.4340   -2.6526   10.3088 H   0  0  0  0  0
   -0.1471   -4.2119    9.7019 H   0  0  0  0  0
    2.5056   -3.7998    9.8079 H   0  0  0  0  0
    1.8261   -4.4894    8.3201 H   0  0  0  0  0
    2.9385   -2.5843    7.3877 H   0  0  0  0  0
    4.4930   -2.2655    9.4594 H   0  0  0  0  0
    4.3036   -0.7130   10.2206 H   0  0  0  0  0
   -0.7525    0.5676    7.4902 H   0  0  0  0  0
   -3.1039    1.7825    7.8580 H   0  0  0  0  0
   -5.0117   -0.6037    7.8979 H   0  0  0  0  0
   -5.3900    1.0916    7.5938 H   0  0  0  0  0
   -5.3528    1.5996    9.9365 H   0  0  0  0  0
   -5.7768   -0.1404   10.0441 H   0  0  0  0  0
   -1.7489    0.3309    9.5690 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 44  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 45  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 24  1  0  0  0
 13 14  1  0  0  0
 13 48  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 20  1  0  0  0
 16 17  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 18 51  1  0  0  0
 18 52  1  0  0  0
 19 20  1  0  0  0
 19 53  1  0  0  0
 19 54  1  0  0  0
 20 21  1  0  0  0
 20 55  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 56  1  0  0  0
 23 57  1  0  0  0
 24 25  1  0  0  0
 24 58  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 32  1  0  0  0
 27 28  1  0  0  0
 27 59  1  0  0  0
 28 29  1  0  0  0
 28 60  1  0  0  0
 28 61  1  0  0  0
 29 30  1  0  0  0
 29 62  1  0  0  0
 29 63  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL382080

>  <PubChem CID>
11539544

>  <Formula>
C22H32N6O4

>  <Molecular Weight>
444.536000

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

>  <XlogP>
-0.300

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCC(CC1)C2=NC=C(N2)CC(C(=O)N3CCCC3C(=O)N)NC(=O)C4CCC(=O)N4

>  <Isomeric SMILES>
C1CCC(CC1)C2=NC=C(N2)C[C@@H](C(=O)N3CCC[C@H]3C(=O)N)NC(=O)[C@@H]4CCC(=O)N4

>  <InChI Std. ID>
InChI=1S/C22H32N6O4/c23-19(30)17-7-4-10-28(17)22(32)16(27-21(31)15-8-9-18(29)26-15)11-14-12-24-20(25-14)13-5-2-1-3-6-13/h12-13,15-17H,1-11H2,(H2,23,30)(H,24,25)(H,26,29)(H,27,31)/t15-,16-,17-/m0/s1

>  <InChI Key>
BHFTUARIRMBSAP-ULQDDVLXSA-N

