
 CHEMBL362325

 38 40  0  0  0  0  0  0  0  0999 V2000
    0.6402    1.1598    0.2217 C   0  0  0  0  0
   -0.8041    0.7858    0.3847 C   0  0  0  0  0
   -0.9781   -0.6731    0.0550 C   0  0  0  0  0
   -1.7176    0.3888   -0.7476 C   0  0  0  0  0
   -1.4385    0.6696   -2.1766 C   0  0  0  0  0
   -0.4988    1.3281   -2.5981 O   0  0  0  0  0
   -2.3338    0.1054   -3.0145 O   0  0  0  0  0
   -3.0733    0.4931   -0.4055 F   0  0  0  0  0
    0.4005   -1.2638   -0.1799 C   0  0  0  0  0
    1.4098   -0.1660    0.3023 C   0  0  0  0  0
    1.7418   -0.3669    1.6934 O   0  0  0  0  0
    3.1093   -0.7100    1.8925 C   0  0  0  0  0
    3.2918   -0.9453    3.3672 C   0  0  0  0  0
    3.0024   -2.1975    3.9277 C   0  0  0  0  0
    3.1237   -2.3939    5.3017 C   0  0  0  0  0
    3.5265   -1.3538    6.1352 C   0  0  0  0  0
    3.8086   -0.1014    5.5915 C   0  0  0  0  0
    3.6867    0.1029    4.2134 C   0  0  0  0  0
    3.6731   -1.5927    7.8334 Cl  0  0  0  0  0
    2.8391   -3.6046    5.8042 F   0  0  0  0  0
    0.7321   -1.7063   -1.6146 C   0  0  0  0  0
    0.0379   -1.6337   -2.6136 O   0  0  0  0  0
    1.9505   -2.3022   -1.6944 O   0  0  0  0  0
    0.4810   -2.4799    0.6867 N   0  0  0  0  0
    0.8291    1.6576   -0.7304 H   0  0  0  0  0
    0.9455    1.8496    1.0163 H   0  0  0  0  0
   -1.2424    1.1514    1.3041 H   0  0  0  0  0
   -1.6091   -1.2800    0.6950 H   0  0  0  0  0
   -1.9738    0.2855   -3.9058 H   0  0  0  0  0
    2.3232   -0.1142   -0.3022 H   0  0  0  0  0
    3.7558    0.1067    1.5500 H   0  0  0  0  0
    3.3660   -1.6138    1.3274 H   0  0  0  0  0
    2.6688   -3.0253    3.3084 H   0  0  0  0  0
    4.1132    0.7213    6.2334 H   0  0  0  0  0
    3.8885    1.0914    3.8040 H   0  0  0  0  0
    1.9852   -2.6179   -2.6243 H   0  0  0  0  0
    0.5742   -2.1352    1.6480 H   0  0  0  0  0
    1.3740   -2.9350    0.4879 H   0  0  0  0  0
  1 10  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  2 27  1  0  0  0
  3  9  1  0  0  0
  3  4  1  0  0  0
  3 28  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 29  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 21  1  0  0  0
 10 11  1  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 35  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 36  1  0  0  0
 24 37  1  0  0  0
 24 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL362325

>  <PubChem CID>
11360426

>  <Formula>
C15H14ClF2NO5

>  <Molecular Weight>
361.726000

>  <IUPAC Name>
(1R,2R,3R,5R,6R)-2-amino-3-[(4-chloro-3-fluorophenyl)methoxy]-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

>  <XlogP>
-1.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

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

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

>  <InChI Std. ID>
InChI=1S/C15H14ClF2NO5/c16-8-2-1-6(3-9(8)17)5-24-10-4-7-11(14(7,18)12(20)21)15(10,19)13(22)23/h1-3,7,10-11H,4-5,19H2,(H,20,21)(H,22,23)/t7-,10-,11+,14-,15+/m1/s1

>  <InChI Key>
BBANVACNTZLDHJ-JAGWWQSPSA-N

