-ISIS-  08091621332D

 19 19  0  0  0  0  0  0  0  0999 V2000
   -0.8542    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3167    0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0083    0.0042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6042    0.4917    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542    1.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292    0.0042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -0.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.4917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8667    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4542   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1917   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3417    0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4542   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958    0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3417   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1958   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  1  2  0  0  0  0
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  9  3  2  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  3  1  0  0  0  0
 13  7  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 17  1  0  0  0  0
M  END
>  <ID> (BBL000545)
BBL000545

>  <Rotatable_Bonds> (BBL000545)
7

>  <logP> (BBL000545)
0.542

>  <PSA> (BBL000545)
104.73

>  <H_Donors> (BBL000545)
3

>  <H_Acceptors> (BBL000545)
5

>  <Number_of_rings> (BBL000545)
1

>  <NAME> (BBL000545)
N-[(benzyloxy)carbonyl]glycylglycine

>  <Mol_Weight> (BBL000545)
266.25

>  <Mol_Formula> (BBL000545)
C12H14N2O5

>  <Smiles> (BBL000545)
O=C(OCc1ccccc1)NCC(=O)NCC(=O)O

>  <CAS_Number> (BBL000545)
2566-19-0

>  <Alternative_identifier> (BBL000545)
MFCD00037783

$$$$