
 CHEMBL304919

 48 50  0  0  0  0  0  0  0  0999 V2000
   -1.8362    2.2656    0.2419 C   0  0  0  0  0
   -0.3201    2.2309    0.4170 C   0  0  0  0  0
    0.1097    0.9285   -0.1522 N   0  0  0  0  0
   -0.9715   -0.0187    0.2152 C   0  0  0  0  0
   -2.2730    0.7984    0.3531 C   0  0  0  0  0
   -2.9325    0.5711    1.7312 C   0  0  0  0  0
   -2.3840    0.2795    2.7823 O   0  0  0  0  0
   -4.2627    0.8373    1.7248 O   0  0  0  0  0
   -3.2472    0.4495   -0.7151 N   0  0  0  0  0
    0.3176    0.9460   -1.6183 C   0  0  0  0  0
    1.4956    1.8280   -2.1465 C   0  0  0  0  0
    2.8487    1.4266   -1.5636 C   0  0  0  0  0
    3.5264    0.2635   -1.9595 C   0  0  0  0  0
    4.7467   -0.0895   -1.3763 C   0  0  0  0  0
    5.3037    0.7074   -0.3797 C   0  0  0  0  0
    4.6430    1.8605    0.0327 C   0  0  0  0  0
    3.4276    2.2181   -0.5553 C   0  0  0  0  0
    1.4801    1.9448   -3.6755 C   0  0  0  0  0
    1.6245    3.2107   -4.2701 C   0  0  0  0  0
    1.5717    3.3627   -5.6576 C   0  0  0  0  0
    1.3909    2.2508   -6.4754 C   0  0  0  0  0
    1.2633    0.9868   -5.9064 C   0  0  0  0  0
    1.3030    0.8348   -4.5181 C   0  0  0  0  0
    0.0537    2.4005    1.8964 C   0  0  0  0  0
   -0.2093    3.3928    2.5631 O   0  0  0  0  0
    0.6884    1.3618    2.4666 O   0  0  0  0  0
   -2.3335    2.9093    0.9768 H   0  0  0  0  0
   -2.0674    2.6750   -0.7501 H   0  0  0  0  0
    0.1540    3.0793   -0.0845 H   0  0  0  0  0
   -1.0665   -0.8369   -0.5105 H   0  0  0  0  0
   -0.6961   -0.5093    1.1556 H   0  0  0  0  0
   -4.5380    0.6626    2.6492 H   0  0  0  0  0
   -2.9331    0.8208   -1.6093 H   0  0  0  0  0
   -4.1312    0.9165   -0.4950 H   0  0  0  0  0
   -0.6068    1.2531   -2.1253 H   0  0  0  0  0
    0.5098   -0.0895   -1.9289 H   0  0  0  0  0
    1.2926    2.8482   -1.7973 H   0  0  0  0  0
    3.1147   -0.3901   -2.7219 H   0  0  0  0  0
    5.2579   -0.9934   -1.6966 H   0  0  0  0  0
    6.2472    0.4259    0.0794 H   0  0  0  0  0
    5.0678    2.4785    0.8190 H   0  0  0  0  0
    2.9254    3.1162   -0.2042 H   0  0  0  0  0
    1.7714    4.0952   -3.6536 H   0  0  0  0  0
    1.6731    4.3506   -6.0993 H   0  0  0  0  0
    1.3538    2.3685   -7.5550 H   0  0  0  0  0
    1.1321    0.1159   -6.5436 H   0  0  0  0  0
    1.1965   -0.1667   -4.1093 H   0  0  0  0  0
    0.7829    1.6044    3.4090 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  9  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8 32  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 18  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  2  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 16 17  2  0  0  0
 16 41  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 47  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL304919

>  <PubChem CID>
44302856

>  <Formula>
C20H22N2O4

>  <Molecular Weight>
354.406000

>  <IUPAC Name>
(2R,4R)-4-amino-1-(2,2-diphenylethyl)pyrrolidine-2,4-dicarboxylic acid

>  <XlogP>
-2.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(N(CC1(C(=O)O)N)CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

>  <Isomeric SMILES>
C1[C@@H](N(C[C@]1(C(=O)O)N)CC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

>  <InChI Std. ID>
InChI=1S/C20H22N2O4/c21-20(19(25)26)11-17(18(23)24)22(13-20)12-16(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,23,24)(H,25,26)/t17-,20-/m1/s1

>  <InChI Key>
KWABXRJYGGENTG-YLJYHZDGSA-N

