-ISIS-  08251613502D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.1625   -0.9583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -1.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0792    2.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2750   -0.4792    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0208   -0.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2000    2.5167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2542    0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1042    1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4500   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1958   -1.9583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9375    2.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -1.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -2.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1792   -0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1208   -2.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0125   -2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  2  1  0  0  0  0
 10  1  1  0  0  0  0
 11  3  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 13  2  0  0  0  0
 17 15  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
>  <ID> (STL373170)
STL373170

>  <Rotatable_Bonds> (STL373170)
8

>  <logP> (STL373170)
0.999

>  <PSA> (STL373170)
86.63

>  <H_Donors> (STL373170)
3

>  <H_Acceptors> (STL373170)
4

>  <Number_of_rings> (STL373170)
1

>  <NAME> (STL373170)
N-benzylglutamic acid

>  <Mol_Weight> (STL373170)
237.26

>  <Mol_Formula> (STL373170)
C12H15NO4

>  <Smiles> (STL373170)
OC(=O)C(CCC(=O)O)NCc1ccccc1

$$$$