C18H24N5O9
APtclcactv03241713432D 0   0.00000     0.00000
 
 56 55  0  0  0  0  0  0  0  0999 V2000
    2.0000    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7321    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.7500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   13.2583    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.4641    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.3100    2.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    2.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    2.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0123    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7723    2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0063   -0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4048    0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7162    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3176   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1403   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5388   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 14 21  2  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
  7 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 54  1  0  0  0  0
 24 55  1  0  0  0  0
 25 56  1  0  0  0  0
M  CHG  5   3   1  19  -1  26   1  29  -1  32  -1
M  END
> <UNIQUE_SMILES>
CC([N+])C(=O)NC(CCC(=O)NC(CCCC([N+])C([O-])=O)C(=O)NC(C)C([O-])=O)C([O-])=O

> <USER_SUPPLIED_SMILES>
CC([N+])C(=O)NC(CCC(=O)NC(C(NC(C)C([O-])=O)=O)CCCC([N+])C(=O)[O-])C(=O)[O-]

$$$$
