
 CHEMBL22918

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.4652   -1.2825    2.6219 C   0  0  0  0  0
   -0.5606   -0.2370    2.2428 C   0  0  0  0  0
   -0.3786   -0.0645    0.7389 C   0  0  0  0  0
    1.0810   -0.4638    0.5123 C   0  0  0  0  0
    1.6371   -0.3323   -0.5711 O   0  0  0  0  0
    1.5293   -1.1547    1.6503 N   0  0  0  0  0
    2.7727   -1.8343    1.7916 C   0  0  0  0  0
    3.7848   -1.7364    0.8283 C   0  0  0  0  0
    4.9946   -2.4268    0.9710 C   0  0  0  0  0
    5.2210   -3.2213    2.0887 C   0  0  0  0  0
    4.2380   -3.3229    3.0653 C   0  0  0  0  0
    3.0270   -2.6372    2.9168 C   0  0  0  0  0
   -1.1903   -0.9731   -0.0765 N   0  0  0  0  0
   -2.5613   -0.8785   -0.0987 C   0  0  0  0  0
   -3.1794   -0.1339    0.6543 O   0  0  0  0  0
   -3.2959   -1.7617   -1.0437 C   0  0  0  0  0
   -2.7547   -2.1891   -2.2628 C   0  0  0  0  0
   -3.5050   -3.0063   -3.1299 C   0  0  0  0  0
   -2.9892   -3.4387   -4.3634 C   0  0  0  0  0
   -3.7537   -4.2352   -5.2190 C   0  0  0  0  0
   -5.0423   -4.6130   -4.8539 C   0  0  0  0  0
   -5.5694   -4.1974   -3.6312 C   0  0  0  0  0
   -4.8153   -3.3946   -2.7615 C   0  0  0  0  0
   -5.3444   -2.9603   -1.5387 C   0  0  0  0  0
   -4.5937   -2.1459   -0.6904 C   0  0  0  0  0
   -0.2814    1.0499    2.9713 C   0  0  0  0  0
    0.0760    2.1102    2.4914 O   0  0  0  0  0
   -0.4699    0.9363    4.3027 O   0  0  0  0  0
    0.8459   -1.1446    3.6383 H   0  0  0  0  0
    0.0392   -2.2884    2.5227 H   0  0  0  0  0
   -1.5721   -0.5470    2.5241 H   0  0  0  0  0
   -0.5509    0.9575    0.3869 H   0  0  0  0  0
    3.6720   -1.1220   -0.0594 H   0  0  0  0  0
    5.7578   -2.3374    0.2019 H   0  0  0  0  0
    6.1601   -3.7567    2.1979 H   0  0  0  0  0
    4.4077   -3.9385    3.9450 H   0  0  0  0  0
    2.2933   -2.7626    3.7067 H   0  0  0  0  0
   -0.7040   -1.5382   -0.7626 H   0  0  0  0  0
   -1.7640   -1.8660   -2.5700 H   0  0  0  0  0
   -1.9858   -3.1541   -4.6729 H   0  0  0  0  0
   -3.3437   -4.5572   -6.1730 H   0  0  0  0  0
   -5.6403   -5.2281   -5.5215 H   0  0  0  0  0
   -6.5801   -4.4994   -3.3649 H   0  0  0  0  0
   -6.3510   -3.2439   -1.2392 H   0  0  0  0  0
   -5.0276   -1.8090    0.2494 H   0  0  0  0  0
   -0.2820    1.8341    4.6520 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  3 32  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 11 12  2  0  0  0
 11 36  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 25  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 23  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
 24 44  1  0  0  0
 25 45  1  0  0  0
 26 28  1  0  0  0
 26 27  2  0  0  0
 28 46  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL22918

>  <PubChem CID>
44458068

>  <Formula>
C22H18N2O4

>  <Molecular Weight>
374.396000

>  <IUPAC Name>
(3S,4R)-4-(naphthalene-2-carbonylamino)-5-oxo-1-phenylpyrrolidine-3-carboxylic acid

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(C(C(=O)N1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

>  <Isomeric SMILES>
C1[C@@H]([C@H](C(=O)N1C2=CC=CC=C2)NC(=O)C3=CC4=CC=CC=C4C=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C22H18N2O4/c25-20(16-11-10-14-6-4-5-7-15(14)12-16)23-19-18(22(27)28)13-24(21(19)26)17-8-2-1-3-9-17/h1-12,18-19H,13H2,(H,23,25)(H,27,28)/t18-,19+/m0/s1

>  <InChI Key>
BDVFAVBKAXMDIW-RBUKOAKNSA-N

