-ISIS-  08091621332D

 22 23  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8625   -0.9958    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292   -0.4958    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5917   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7292    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708   -0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625   -0.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4708   -2.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3333   -1.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3292    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  1  1  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 10  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  2  0  0  0  0
 15 12  1  0  0  0  0
 16 12  2  0  0  0  0
 17 15  2  0  0  0  0
 18 13  2  0  0  0  0
 19 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 20  2  0  0  0  0
 22 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
>  <ID> (BBL000579)
BBL000579

>  <Rotatable_Bonds> (BBL000579)
6

>  <logP> (BBL000579)
3.577

>  <PSA> (BBL000579)
75.63

>  <H_Donors> (BBL000579)
2

>  <H_Acceptors> (BBL000579)
4

>  <Number_of_rings> (BBL000579)
2

>  <NAME> (BBL000579)
N-[(benzyloxy)carbonyl]phenylalanine

>  <Mol_Weight> (BBL000579)
299.33

>  <Mol_Formula> (BBL000579)
C17H17NO4

>  <Smiles> (BBL000579)
O=C(NC(C(=O)O)Cc1ccccc1)OCc1ccccc1

>  <CAS_Number> (BBL000579)
3588-57-6

>  <Alternative_identifier> (BBL000579)
MFCD00063151

$$$$