
 CHEMBL3982032

 58 60  0  0  0  0  0  0  0  0999 V2000
    0.8425    4.3332    0.8784 C   0  0  0  0  0
    1.6710    3.0658    0.7401 C   0  0  0  0  0
    3.2029    3.2331    0.5222 C   0  0  0  0  0
    3.5382    4.2087   -0.6255 C   0  0  0  0  0
    3.6854    5.4983    0.0006 N   0  0  0  0  0
    3.9467    5.3812    1.3627 C   0  0  0  0  0
    4.2273    6.2698    2.1535 O   0  0  0  0  0
    3.9082    3.9016    1.7315 C   0  0  0  0  0
    5.3524    3.4640    1.9822 C   0  0  0  0  0
    3.9860    6.6710   -0.7378 C   0  0  0  0  0
    3.0875    7.7619   -0.6918 C   0  0  0  0  0
    3.3156    8.8801   -1.5135 C   0  0  0  0  0
    4.4253    8.9407   -2.3478 C   0  0  0  0  0
    5.3365    7.8920   -2.3572 C   0  0  0  0  0
    5.1471    6.7609   -1.5431 C   0  0  0  0  0
    6.2342    5.7205   -1.5626 C   0  0  0  0  0
    1.8330    7.7550    0.1378 C   0  0  0  0  0
    3.7506    1.8436    0.1382 C   0  0  0  0  0
    4.1781    1.6401   -0.9977 O   0  0  0  0  0
    3.6621    0.8784    1.1283 N   0  0  0  0  0
    4.0345   -0.4840    1.0170 C   0  0  0  0  0
    3.9383   -1.2802    2.1659 C   0  0  0  0  0
    4.2869   -2.6414    2.1393 C   0  0  0  0  0
    4.7436   -3.2083    0.9449 C   0  0  0  0  0
    4.8397   -2.4350   -0.2181 C   0  0  0  0  0
    4.4834   -1.0755   -0.1668 C   0  0  0  0  0
    5.3180   -3.0283   -1.5208 C   0  0  0  0  0
    4.4066   -2.8920   -2.5237 F   0  0  0  0  0
    6.4638   -2.4470   -1.9715 F   0  0  0  0  0
    5.5853   -4.3629   -1.4439 F   0  0  0  0  0
    4.2014   -3.4684    3.3895 C   0  0  0  0  0
   -0.2017    4.0734    1.0821 H   0  0  0  0  0
    0.8531    4.9117   -0.0479 H   0  0  0  0  0
    1.1903    4.9609    1.7026 H   0  0  0  0  0
    1.2535    2.4864   -0.0948 H   0  0  0  0  0
    1.4972    2.4579    1.6373 H   0  0  0  0  0
    2.7575    4.2489   -1.3926 H   0  0  0  0  0
    4.4797    3.9424   -1.1063 H   0  0  0  0  0
    3.3198    3.7855    2.6485 H   0  0  0  0  0
    5.9434    3.4626    1.0602 H   0  0  0  0  0
    5.3949    2.4629    2.4200 H   0  0  0  0  0
    5.8508    4.1429    2.6836 H   0  0  0  0  0
    2.6162    9.7137   -1.5116 H   0  0  0  0  0
    4.5871    9.8098   -2.9796 H   0  0  0  0  0
    6.2144    7.9668   -2.9962 H   0  0  0  0  0
    6.3947    5.2998   -0.5656 H   0  0  0  0  0
    7.1921    6.1593   -1.8650 H   0  0  0  0  0
    5.9949    4.9263   -2.2748 H   0  0  0  0  0
    2.0135    7.3716    1.1444 H   0  0  0  0  0
    1.0638    7.1557   -0.3560 H   0  0  0  0  0
    1.4366    8.7692    0.2619 H   0  0  0  0  0
    3.3260    1.1685    2.0380 H   0  0  0  0  0
    3.5945   -0.8498    3.1040 H   0  0  0  0  0
    5.0249   -4.2610    0.9157 H   0  0  0  0  0
    4.5676   -0.5084   -1.0899 H   0  0  0  0  0
    4.3377   -4.5338    3.1741 H   0  0  0  0  0
    3.2190   -3.3509    3.8577 H   0  0  0  0  0
    4.9787   -3.1616    4.0962 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  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  8  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 13  2  0  0  0
 12 43  1  0  0  0
 13 14  1  0  0  0
 13 44  1  0  0  0
 14 15  2  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 17 51  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 52  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 23 24  2  0  0  0
 23 31  1  0  0  0
 24 25  1  0  0  0
 24 54  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 26 55  1  0  0  0
 27 30  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
 31 56  1  0  0  0
 31 57  1  0  0  0
 31 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3982032

>  <PubChem CID>
58218856

>  <Formula>
C24H27F3N2O2

>  <Molecular Weight>
432.487000

>  <IUPAC Name>
(3S,4S)-1-(2,6-dimethylphenyl)-3-ethyl-4-methyl-N-[3-methyl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCC1(CN(C(=O)C1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C

>  <Isomeric SMILES>
CC[C@]1(CN(C(=O)[C@H]1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C

>  <InChI Std. ID>
InChI=1S/C24H27F3N2O2/c1-6-23(22(31)28-19-11-14(2)10-18(12-19)24(25,26)27)13-29(21(30)17(23)5)20-15(3)8-7-9-16(20)4/h7-12,17H,6,13H2,1-5H3,(H,28,31)/t17-,23-/m1/s1

>  <InChI Key>
JILYNYYLSQLSQK-UZUQRXQVSA-N

