
 CHEMBL3895593

 66 69  0  0  0  0  0  0  0  0999 V2000
    2.0660    0.7247   -1.5755 C   0  0  0  0  0
    1.8800    0.8501   -0.0633 C   0  0  0  0  0
    2.6257    2.0513    0.5866 C   0  0  0  0  0
    2.0838    3.3795    0.0482 C   0  0  0  0  0
    2.1786    4.2969    1.1673 N   0  0  0  0  0
    2.2701    3.6119    2.3853 C   0  0  0  0  0
    2.2998    4.1012    3.5045 O   0  0  0  0  0
    2.2760    2.1293    2.0902 C   0  0  0  0  0
    3.1502    1.3412    3.0529 C   0  0  0  0  0
    1.5242    5.5544    1.0921 C   0  0  0  0  0
    2.2479    6.6651    0.6050 C   0  0  0  0  0
    1.6304    7.9260    0.5788 C   0  0  0  0  0
    0.3170    8.0864    1.0128 C   0  0  0  0  0
   -0.4031    6.9877    1.4676 C   0  0  0  0  0
    0.1801    5.7112    1.5090 C   0  0  0  0  0
   -0.6778    4.5639    1.9760 C   0  0  0  0  0
    3.6823    6.5569    0.1690 C   0  0  0  0  0
    4.1375    1.8847    0.3617 C   0  0  0  0  0
    4.5998    0.7706    0.1024 O   0  0  0  0  0
    4.9326    2.9976    0.5737 N   0  0  0  0  0
    6.3222    3.0396    0.3145 C   0  0  0  0  0
    7.1019    3.9797    0.9907 C   0  0  0  0  0
    8.4890    4.0173    0.8037 C   0  0  0  0  0
    9.0956    3.1384   -0.0925 C   0  0  0  0  0
    8.3261    2.2070   -0.8018 C   0  0  0  0  0
    6.9389    2.1786   -0.5993 C   0  0  0  0  0
    8.9625    1.2595   -1.7865 C   0  0  0  0  0
    8.4283    0.0081   -1.7519 F   0  0  0  0  0
    8.8308    1.6886   -3.0723 F   0  0  0  0  0
   10.3007    1.0962   -1.5850 F   0  0  0  0  0
    9.1621    4.9321    1.5764 O   0  0  0  0  0
   10.5640    5.1690    1.3260 C   0  0  0  0  0
   11.2258    6.1968    2.2842 C   0  0  0  0  0
   12.5031    5.3405    2.2089 C   0  0  0  0  0
   11.5867    4.1433    1.8940 C   0  0  0  0  0
    1.4625   -0.1055   -1.9553 H   0  0  0  0  0
    3.1058    0.5178   -1.8491 H   0  0  0  0  0
    1.7534    1.6329   -2.0964 H   0  0  0  0  0
    2.2022   -0.0894    0.4047 H   0  0  0  0  0
    0.8039    0.9340    0.1356 H   0  0  0  0  0
    1.0307    3.2934   -0.2446 H   0  0  0  0  0
    2.6530    3.7662   -0.8029 H   0  0  0  0  0
    1.2367    1.8033    2.2391 H   0  0  0  0  0
    4.1613    1.7551    3.1226 H   0  0  0  0  0
    3.2185    0.2904    2.7561 H   0  0  0  0  0
    2.7260    1.3755    4.0629 H   0  0  0  0  0
    2.1770    8.8006    0.2339 H   0  0  0  0  0
   -0.1449    9.0709    0.9995 H   0  0  0  0  0
   -1.4302    7.1347    1.7972 H   0  0  0  0  0
   -0.7431    3.7948    1.2005 H   0  0  0  0  0
   -1.7025    4.8889    2.1865 H   0  0  0  0  0
   -0.2899    4.1267    2.8988 H   0  0  0  0  0
    3.7878    5.8272   -0.6386 H   0  0  0  0  0
    4.3141    6.2663    1.0140 H   0  0  0  0  0
    4.0584    7.5128   -0.2119 H   0  0  0  0  0
    4.5491    3.7662    1.1149 H   0  0  0  0  0
    6.6528    4.6657    1.7044 H   0  0  0  0  0
   10.1693    3.1471   -0.2519 H   0  0  0  0  0
    6.3535    1.4683   -1.1804 H   0  0  0  0  0
   10.7460    5.4380    0.2755 H   0  0  0  0  0
   10.7738    6.2342    3.2827 H   0  0  0  0  0
   11.3200    7.2144    1.8980 H   0  0  0  0  0
   13.1693    5.6149    1.3826 H   0  0  0  0  0
   13.0876    5.2663    3.1290 H   0  0  0  0  0
   12.0034    3.4276    1.1806 H   0  0  0  0  0
   11.2366    3.6005    2.7793 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  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 41  1  0  0  0
  4 42  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 43  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
  9 46  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 47  1  0  0  0
 13 14  1  0  0  0
 13 48  1  0  0  0
 14 15  2  0  0  0
 14 49  1  0  0  0
 15 16  1  0  0  0
 16 50  1  0  0  0
 16 51  1  0  0  0
 16 52  1  0  0  0
 17 53  1  0  0  0
 17 54  1  0  0  0
 17 55  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 56  1  0  0  0
 21 26  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 22 57  1  0  0  0
 23 24  2  0  0  0
 23 31  1  0  0  0
 24 25  1  0  0  0
 24 58  1  0  0  0
 25 26  2  0  0  0
 25 27  1  0  0  0
 26 59  1  0  0  0
 27 30  1  0  0  0
 27 29  1  0  0  0
 27 28  1  0  0  0
 31 32  1  0  0  0
 32 35  1  0  0  0
 32 33  1  0  0  0
 32 60  1  0  0  0
 33 34  1  0  0  0
 33 61  1  0  0  0
 33 62  1  0  0  0
 34 35  1  0  0  0
 34 63  1  0  0  0
 34 64  1  0  0  0
 35 65  1  0  0  0
 35 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3895593

>  <PubChem CID>
89799806

>  <Formula>
C27H31F3N2O3

>  <Molecular Weight>
488.551000

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

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC1(CN(C(=O)C1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)OC4CCC4

>  <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)OC4CCC4

>  <InChI Std. ID>
InChI=1S/C27H31F3N2O3/c1-5-26(15-32(24(33)18(26)4)23-16(2)8-6-9-17(23)3)25(34)31-20-12-19(27(28,29)30)13-22(14-20)35-21-10-7-11-21/h6,8-9,12-14,18,21H,5,7,10-11,15H2,1-4H3,(H,31,34)/t18-,26-/m1/s1

>  <InChI Key>
CBBBVFQJJUYNNA-WXTAPIANSA-N

