
 LY 395756

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.4205    0.7233    0.4779 C   0  0  0  0  0
    2.7343    0.0945    0.0338 C   0  0  0  0  0
    2.5790   -1.3720   -0.4146 C   0  0  0  0  0
    2.4756   -1.3478   -1.9582 C   0  0  0  0  0
    3.2134   -0.0887   -2.3602 C   0  0  0  0  0
    3.3737    0.7852   -1.1441 C   0  0  0  0  0
    2.6027    1.3021   -2.3377 C   0  0  0  0  0
    3.1807    2.3614   -3.1922 C   0  0  0  0  0
    4.3624    2.4676   -3.4744 O   0  0  0  0  0
    2.2611    3.2329   -3.6474 O   0  0  0  0  0
    1.0031   -1.4320   -2.4275 C   0  0  0  0  0
    0.3700   -0.6149   -3.0739 O   0  0  0  0  0
    0.4251   -2.6157   -2.1053 O   0  0  0  0  0
    3.2053   -2.5108   -2.5111 N   0  0  0  0  0
    1.5580    1.7860    0.7041 H   0  0  0  0  0
    1.0483    0.2299    1.3821 H   0  0  0  0  0
    0.6403    0.6414   -0.2845 H   0  0  0  0  0
    3.4238    0.1298    0.8866 H   0  0  0  0  0
    1.7389   -1.8750    0.0764 H   0  0  0  0  0
    3.4896   -1.9072   -0.1092 H   0  0  0  0  0
    4.0921   -0.2554   -2.9729 H   0  0  0  0  0
    4.3573    1.1865   -0.9310 H   0  0  0  0  0
    1.5278    1.3868   -2.2354 H   0  0  0  0  0
    2.7820    3.8538   -4.1963 H   0  0  0  0  0
   -0.4748   -2.5430   -2.4884 H   0  0  0  0  0
    3.1334   -2.4886   -3.5283 H   0  0  0  0  0
    2.7039   -3.3537   -2.2209 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  5 21  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 24  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 25  1  0  0  0
 14 26  1  0  0  0
 14 27  1  0  0  0
M  END

>  <Chemical Name>
LY 395756

>  <PubChem CID>
11310142

>  <Formula>
C9H13NO4

>  <Molecular Weight>
199.206000

>  <IUPAC Name>
(1S,2S,4R,5R,6S)-2-amino-4-methylbicyclo[3.1.0]hexane-2,6-dicarboxylic acid

>  <XlogP>
-2.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CC(C2C1C2C(=O)O)(C(=O)O)N

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

>  <InChI Std. ID>
InChI=1S/C9H13NO4/c1-3-2-9(10,8(13)14)6-4(3)5(6)7(11)12/h3-6H,2,10H2,1H3,(H,11,12)(H,13,14)/t3-,4+,5+,6+,9+/m1/s1

>  <InChI Key>
BQVZICWQBFTOJX-QNDZYWSYSA-N

