
 CHEMBL185210

 44 47  0  0  0  0  0  0  0  0999 V2000
   -0.5274    1.7107   -2.9483 C   0  0  0  0  0
   -0.4328    1.8008   -4.4463 C   0  0  0  0  0
    0.9731    1.4245   -4.8539 C   0  0  0  0  0
    0.4038    2.7953   -5.2000 C   0  0  0  0  0
    0.8497    4.0770   -4.6132 C   0  0  0  0  0
    0.2590    4.6868   -3.7354 O   0  0  0  0  0
    1.9593    4.5733   -5.2018 O   0  0  0  0  0
    0.0269    2.9067   -6.5461 F   0  0  0  0  0
    1.6714    0.9134   -3.6001 C   0  0  0  0  0
    0.5050    0.6309   -2.5893 C   0  0  0  0  0
   -0.0265   -0.6924   -2.8366 O   0  0  0  0  0
   -0.9708   -1.1206   -1.8560 C   0  0  0  0  0
   -1.4109   -2.5357   -2.1429 C   0  0  0  0  0
   -1.5336   -3.4602   -1.0942 C   0  0  0  0  0
   -2.0090   -4.7635   -1.3189 C   0  0  0  0  0
   -2.1320   -5.6881   -0.2688 C   0  0  0  0  0
   -2.6132   -6.9767   -0.5030 C   0  0  0  0  0
   -2.9785   -7.3585   -1.7903 C   0  0  0  0  0
   -2.8618   -6.4520   -2.8460 C   0  0  0  0  0
   -2.3784   -5.1513   -2.6259 C   0  0  0  0  0
   -2.2578   -4.2238   -3.6728 C   0  0  0  0  0
   -1.7839   -2.9304   -3.4330 C   0  0  0  0  0
    2.6968    1.8448   -2.9225 C   0  0  0  0  0
    2.7080    3.0650   -2.8960 O   0  0  0  0  0
    3.6240    1.1669   -2.2005 O   0  0  0  0  0
    2.3625   -0.3518   -3.9880 N   0  0  0  0  0
   -0.2596    2.6545   -2.4658 H   0  0  0  0  0
   -1.5466    1.4605   -2.6483 H   0  0  0  0  0
   -1.2501    1.3081   -4.9575 H   0  0  0  0  0
    1.0896    0.7566   -5.7008 H   0  0  0  0  0
    2.1431    5.3892   -4.6921 H   0  0  0  0  0
    0.8333    0.6928   -1.5448 H   0  0  0  0  0
   -1.8603   -0.4841   -1.8697 H   0  0  0  0  0
   -0.5078   -1.0602   -0.8647 H   0  0  0  0  0
   -1.2614   -3.1605   -0.0843 H   0  0  0  0  0
   -1.8516   -5.4092    0.7440 H   0  0  0  0  0
   -2.7032   -7.6810    0.3200 H   0  0  0  0  0
   -3.3544   -8.3611   -1.9752 H   0  0  0  0  0
   -3.1535   -6.7682   -3.8448 H   0  0  0  0  0
   -2.5388   -4.5007   -4.6867 H   0  0  0  0  0
   -1.7102   -2.2287   -4.2618 H   0  0  0  0  0
    4.2115    1.8716   -1.8526 H   0  0  0  0  0
    2.9800   -0.6049   -3.2116 H   0  0  0  0  0
    1.6397   -1.0810   -3.9799 H   0  0  0  0  0
  1 10  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  4  1  0  0  0
  2 29  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  3 30  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 31  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 23  1  0  0  0
 10 11  1  0  0  0
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 26 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL185210

>  <PubChem CID>
11405687

>  <Formula>
C19H18FNO5

>  <Molecular Weight>
359.353000

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

>  <XlogP>
-0.7

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1C2C(C2(C(=O)O)F)C(C1OCC3=CC4=CC=CC=C4C=C3)(C(=O)O)N

>  <Isomeric SMILES>
C1[C@@H]2[C@@H]([C@]2(C(=O)O)F)[C@@]([C@@H]1OCC3=CC4=CC=CC=C4C=C3)(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C19H18FNO5/c20-18(16(22)23)13-8-14(19(21,15(13)18)17(24)25)26-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13-15H,8-9,21H2,(H,22,23)(H,24,25)/t13-,14-,15+,18-,19+/m1/s1

>  <InChI Key>
BBDMJGONEUTSEP-HIGHGGLBSA-N

