
 CHEMBL183956

 28 29  0  0  0  0  0  0  0  0999 V2000
    5.6526    2.5113   -0.5676 C   0  0  0  0  0
    4.6431    3.3718   -0.0602 O   0  0  0  0  0
    3.3241    2.7935   -0.0724 C   0  0  0  0  0
    2.7371    2.6759   -1.4985 C   0  0  0  0  0
    1.8475    3.8701   -1.6959 C   0  0  0  0  0
    1.6187    4.5343   -0.3799 C   0  0  0  0  0
    2.3306    5.2877   -1.4878 C   0  0  0  0  0
    1.6274    6.4078   -2.1711 C   0  0  0  0  0
    0.5129    6.3287   -2.6709 O   0  0  0  0  0
    2.3192    7.5659   -2.1945 O   0  0  0  0  0
    3.7092    5.4402   -1.3524 F   0  0  0  0  0
    2.3221    3.7323    0.6882 C   0  0  0  0  0
    1.3420    2.8381    1.4769 C   0  0  0  0  0
    0.1648    2.6299    1.2238 O   0  0  0  0  0
    1.9184    2.2244    2.5362 O   0  0  0  0  0
    2.9693    4.6859    1.6174 N   0  0  0  0  0
    6.6223    2.9936   -0.4072 H   0  0  0  0  0
    5.5324    2.3520   -1.6419 H   0  0  0  0  0
    5.6505    1.5534   -0.0419 H   0  0  0  0  0
    3.3946    1.8052    0.3999 H   0  0  0  0  0
    2.1217    1.7719   -1.5623 H   0  0  0  0  0
    3.4933    2.6375   -2.2848 H   0  0  0  0  0
    1.0111    3.6903   -2.3569 H   0  0  0  0  0
    0.6241    4.8615   -0.1068 H   0  0  0  0  0
    1.7278    8.1904   -2.6618 H   0  0  0  0  0
    1.1756    1.7336    2.9504 H   0  0  0  0  0
    3.7907    5.0428    1.1120 H   0  0  0  0  0
    3.3842    4.1302    2.3710 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  3 12  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 23  1  0  0  0
  6 12  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7 11  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 25  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 26  1  0  0  0
 16 27  1  0  0  0
 16 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL183956

>  <PubChem CID>
10192719

>  <Formula>
C9H12FNO5

>  <Molecular Weight>
233.195000

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

>  <XlogP>
-3.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
COC1CC2C(C2(C(=O)O)F)C1(C(=O)O)N

>  <Isomeric SMILES>
CO[C@@H]1C[C@@H]2[C@@H]([C@]2(C(=O)O)F)[C@@]1(C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C9H12FNO5/c1-16-4-2-3-5(8(3,10)6(12)13)9(4,11)7(14)15/h3-5H,2,11H2,1H3,(H,12,13)(H,14,15)/t3-,4-,5+,8-,9+/m1/s1

>  <InChI Key>
DLCJNGFLKRARDD-CGFYFEPUSA-N

