
 CHEMBL186214

 38 40  0  0  0  0  0  0  0  0999 V2000
   -0.6425    1.5296   -1.5596 C   0  0  0  0  0
   -1.2766    1.2456   -2.8939 C   0  0  0  0  0
   -0.3127    0.4013   -3.6966 C   0  0  0  0  0
   -0.7857    1.7515   -4.2209 C   0  0  0  0  0
    0.0790    2.9425   -4.3661 C   0  0  0  0  0
    0.3385    3.7411   -3.4766 O   0  0  0  0  0
    0.5601    3.1027   -5.6174 O   0  0  0  0  0
   -1.7559    1.6394   -5.2254 F   0  0  0  0  0
    0.8476    0.0528   -2.7676 C   0  0  0  0  0
    0.2558    0.3045   -1.3329 C   0  0  0  0  0
   -0.5293   -0.8548   -0.9551 O   0  0  0  0  0
   -1.0758   -0.7898    0.3621 C   0  0  0  0  0
   -1.8856   -2.0226    0.6939 C   0  0  0  0  0
   -1.9462   -3.1418   -0.1465 C   0  0  0  0  0
   -2.7163   -4.2553    0.2047 C   0  0  0  0  0
   -3.4327   -4.2636    1.3997 C   0  0  0  0  0
   -3.3818   -3.1593    2.2460 C   0  0  0  0  0
   -2.6126   -2.0470    1.8969 C   0  0  0  0  0
    2.1535    0.8409   -2.9835 C   0  0  0  0  0
    2.4419    1.5881   -3.9061 O   0  0  0  0  0
    3.0957    0.5533   -2.0535 O   0  0  0  0  0
    1.1647   -1.3916   -2.9613 N   0  0  0  0  0
   -0.0327    2.4337   -1.5696 H   0  0  0  0  0
   -1.4112    1.6664   -0.7956 H   0  0  0  0  0
   -2.2956    0.8912   -2.8115 H   0  0  0  0  0
   -0.7134   -0.4640   -4.2154 H   0  0  0  0  0
    1.1647    3.8680   -5.5456 H   0  0  0  0  0
    1.0225    0.4764   -0.5708 H   0  0  0  0  0
   -1.7473    0.0677    0.4404 H   0  0  0  0  0
   -0.2613   -0.6855    1.0876 H   0  0  0  0  0
   -1.4029   -3.1572   -1.0872 H   0  0  0  0  0
   -2.7579   -5.1154   -0.4591 H   0  0  0  0  0
   -4.0314   -5.1287    1.6690 H   0  0  0  0  0
   -3.9423   -3.1614    3.1767 H   0  0  0  0  0
   -2.5887   -1.1923    2.5684 H   0  0  0  0  0
    3.8868    1.0332   -2.3771 H   0  0  0  0  0
    0.3978   -1.9051   -2.5127 H   0  0  0  0  0
    1.9730   -1.6059   -2.3710 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 25  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7 27  1  0  0  0
  9 10  1  0  0  0
  9 22  1  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 31  1  0  0  0
 15 16  2  0  0  0
 15 32  1  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 36  1  0  0  0
 22 37  1  0  0  0
 22 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL186214

>  <PubChem CID>
11347391

>  <Formula>
C15H16FNO5

>  <Molecular Weight>
309.293000

>  <IUPAC Name>
(1R,2R,3R,5R,6R)-2-amino-6-fluoro-3-phenylmethoxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid

>  <XlogP>
-1.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C2C(C2(C(=O)O)F)C(C1OCC3=CC=CC=C3)(C(=O)O)N

>  <Isomeric SMILES>
C1[C@@H]2[C@@H]([C@]2(C(=O)O)F)[C@@]([C@@H]1OCC3=CC=CC=C3)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C15H16FNO5/c16-14(12(18)19)9-6-10(15(17,11(9)14)13(20)21)22-7-8-4-2-1-3-5-8/h1-5,9-11H,6-7,17H2,(H,18,19)(H,20,21)/t9-,10-,11+,14-,15+/m1/s1

>  <InChI Key>
FHUJXFRDZNFBOI-ZNLHFFCSSA-N

