-ISIS-  08091621332D

 19 20  0  0  0  0  0  0  0  0999 V2000
   -0.6083    0.4167    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2000   -0.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000    1.2208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458    0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8875   -0.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958    2.1708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8958   -1.3417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875   -0.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917   -1.3167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3792   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8833   -2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208    1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0208   -0.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8875   -0.0917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8875    0.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  3  2  0  0  0  0
  9  2  2  0  0  0  0
 10 14  1  0  0  0  0
 11  7  1  0  0  0  0
 12  7  2  0  0  0  0
 13 10  2  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 16  5  1  0  0  0  0
 17  4  1  0  0  0  0
 18 17  2  0  0  0  0
 19 16  2  0  0  0  0
  5  4  2  0  0  0  0
 19 18  1  0  0  0  0
M  END
>  <ID> (BBL000578)
BBL000578

>  <Rotatable_Bonds> (BBL000578)
4

>  <logP> (BBL000578)
0.369

>  <PSA> (BBL000578)
103.78

>  <H_Donors> (BBL000578)
2

>  <H_Acceptors> (BBL000578)
5

>  <Number_of_rings> (BBL000578)
2

>  <NAME> (BBL000578)
N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]glycine

>  <Mol_Weight> (BBL000578)
262.22

>  <Mol_Formula> (BBL000578)
C12H10N2O5

>  <Smiles> (BBL000578)
O=C(CN1C(=O)c2c(C1=O)cccc2)NCC(=O)O

>  <CAS_Number> (BBL000578)
3916-40-3

>  <Alternative_identifier> (BBL000578)
MFCD00057146

$$$$