Sign In Join Free

Products Information

Cilazapril
Cilazapril ID: B187316
CAS:88768-40-5
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:N12C(=O)[C@@H](N[C@H](C(=O)OCC)CCc3ccccc3)CCCN2CCC[C@H]1C(=O)O	
FORMULA: C22H31N3O5
MASS: 417.4986
EXACT MASS: 417.2263711
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.8351     0.0000 
   C   3    0.8205     1.3588     0.0000 
   N   4    0.8217     1.4934     1.4292     0.0000 
   C   5    1.4923     0.8208     2.1575     1.8610     0.0000 
   C   6    1.4255     1.5285     0.8221     2.1800     2.3297     0.0000 
   N   7    2.1835     1.6305     2.9230     2.3196     0.8233     3.1510 
   C   8    3.1016     2.3067     3.6410     3.5098     1.6538     3.5418 
   C   9    2.9047     2.2273     3.5795     3.1275     1.4250     3.6681 
   O  10    1.4059     0.8262     1.4773     2.1982     1.3950     1.1629 
   O  11    1.6530     1.2932     1.4295     2.4746     1.9387     0.8274 
   O  12    2.6595     1.8247     3.0597     3.2241     1.4321     2.8350 
   C  13    3.6068     2.9960     4.3281     3.7053     2.1769     4.4707 
   O  14    2.1802     2.3568     1.4274     2.8566     3.1532     0.8286 
   C  15    1.4228     2.1368     0.8293     1.6480     2.8944     1.4330 
   O  16    3.9164     3.1098     4.4242     4.3321     2.4771     4.2566 
   C  17    4.3249     3.6486     5.0035     4.4880     2.8500     5.0558 
   C  18    1.4157     2.2159     1.6440     0.8199     2.6731     2.4661 
   C  19    1.4838     1.8563     2.2171     0.8271     1.8586     2.9081 
   C  20    5.0313     4.4006     5.7439     5.1115     3.5873     5.8421 
   C  21    1.8568     1.4852     2.6481     1.8593     0.8289     3.0012 
   C  22    1.6417     2.4699     1.4308     1.4270     3.1020     2.1827 
   C  23    1.8521     1.8520     2.6680     1.4899     1.4890     3.2154 
   C  24    4.4668     3.7045     5.0539     4.7705     2.9790     4.9698 
   C  25    5.1228     4.5946     5.8886     5.0690     3.7754     6.0970 
   C  26    5.7562     5.0800     6.4360     5.8888     4.2833     6.4666 
   C  27    5.2673     4.4873     5.8243     5.5947     3.7872     5.6847 
   C  28    6.4641     5.8225     7.1709     6.5350     5.0135     7.2408 
   C  29    5.9150     5.4117     6.6917     5.8152     4.5946     6.9202 
   C  30    6.5356     5.9705     7.2873     6.5018     5.1498     7.4480 

              N   7      C   8      C   9      O  10      O  11      O  12
              ------------------------------------------------------------------
   N   7    0.0000 
   C   8    1.4321     0.0000 
   C   9    0.8233     0.8250     0.0000 
   O  10    2.1943     2.3838     2.5808     0.0000 
   O  11    2.7419     2.8535     3.1119     0.5479     0.0000 
   O  12    1.6500     0.8233     1.4238     1.6755     2.0920     0.0000 
   C  13    1.4250     1.4238     0.8233     3.4000     3.9338     2.1748 
   O  14    3.9757     4.2792     4.4669     1.9053     1.4353     3.5272 
   C  15    3.6063     4.4407     4.3171     2.3015     2.1894     3.8841 
   O  16    2.1856     0.8233     1.4321     3.0945     3.5152     1.4250 
   C  17    2.1754     1.6436     1.4250     3.9311     4.4378     2.4669 
   C  18    3.1313     4.3252     3.9437     2.8085     2.9681     4.0052 
   C  19    2.0085     3.3781     2.8268     2.6674     3.0517     3.2902 
   C  20    2.8500     2.4669     2.1785     4.7318     5.2461     3.2902 
   C  21    0.5222     1.9361     1.3384     2.1942     2.7259     2.0388 
   C  22    3.6922     4.7369     4.4723     2.8553     2.8603     4.2921 
   C  23    1.3277     2.7564     2.1066     2.6645     3.1439     2.8365 
   C  24    2.4807     1.4292     1.6574     3.8097     4.2648     2.1811 
   C  25    2.9705     2.9731     2.4762     5.0480     5.5846     3.7766 
   C  26    3.5936     2.9693     2.8583     5.3270     5.8169     3.7740 
   C  27    3.3103     2.1835     2.4870     4.5221     4.9433     2.8542 
   C  28    4.2833     3.7740     3.5955     6.1120     6.6111     4.5854 
   C  29    3.7833     3.7829     3.3066     5.8776     6.4147     4.5936 
   C  30    4.3644     4.1227     3.7833     6.3599     6.8827     4.9460 

              C  13      O  14      C  15      O  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   O  14    5.2771     0.0000 
   C  15    5.0295     1.6523     0.0000 
   O  16    1.6500     4.9504     5.2346     0.0000 
   C  17    0.8192     5.8352     5.7407     1.4311     0.0000 
   C  18    4.4992     2.9663     1.4200     5.1481     5.2913     0.0000 
   C  19    3.2559     3.6362     2.4698     4.1733     4.0695     1.3695 
   C  20    1.4250     6.6318     6.4538     2.1811     0.8233     5.8928 
   C  21    1.8460     3.8289     3.2614     2.7047     2.6352     2.6564 
   C  22    5.1031     2.4742     0.8219     5.5548     5.8672     0.8207 
   C  23    2.4524     4.0125     3.1007     3.5101     3.2703     2.1709 
   C  24    1.4342     5.6969     5.8406     0.8269     0.8334     5.5895 
   C  25    1.6529     6.9117     6.5349     2.8626     1.4316     5.8039 
   C  26    2.1835     7.2319     7.1734     2.4741     1.4333     6.6810 
   C  27    2.1978     6.3781     6.6232     1.4293     1.4522     6.4143 
   C  28    2.8583     8.0171     7.8864     3.2973     2.1851     7.3079 
   C  29    2.4833     7.7370     7.3184     3.6026     2.1888     6.5239 
   C  30    2.9785     8.2501     7.9529     3.7829     2.4792     7.2364 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    4.6053     0.0000 
   C  21    1.4885     3.2555     0.0000 
   C  22    2.1408     6.5194     3.2644     0.0000 
   C  23    0.8262     3.7827     0.8240     2.9003     0.0000 
   C  24    4.4793     1.4290     2.9932     6.0787     3.7320     0.0000 
   C  25    4.4586     0.8292     3.2740     6.4957     3.6370     2.1899 
   C  26    5.4135     0.8305     4.0295     7.2832     4.5946     1.6471 
   C  27    5.3083     1.6708     3.8227     6.8892     4.5559     0.8296 
   C  28    5.9997     1.4333     4.6833     7.9477     5.1737     2.4704 
   C  29    5.1626     1.4357     4.0593     7.2410     4.3535     2.8647 
   C  30    5.8878     1.6559     4.6962     7.9283     5.0681     2.9760 

              C  25      C  26      C  27      C  28      C  29      C  30
              ------------------------------------------------------------------
   C  25    0.0000 
   C  26    1.4357     0.0000 
   C  27    2.5000     1.4440     0.0000 
   C  28    1.6559     0.8233     2.1932     0.0000 
   C  29    0.8305     1.6542     2.9974     1.4316     0.0000 
   C  30    1.4333     1.4316     2.8755     0.8292     0.8233     0.0000 




ATOMIC CHARGES
   N   1   -0.2108372477
   C   2    0.2550631008
   C   3    0.1945126513
   N   4   -0.2021509600
   C   5    0.1507275470
   C   6    0.3839142490
   N   7   -0.2005415225
   C   8    0.3329320749
   C   9    0.1720904667
   O  10   -0.2720593544
   O  11   -0.2437601945
   O  12   -0.2485577755
   C  13    0.0334609019
   O  14   -0.2437601945
   C  15    0.0344731727
   O  16   -0.4475508215
   C  17    0.0283626625
   C  18    0.0922198722
   C  19    0.0922083675
   C  20   -0.0221272734
   C  21    0.0282457230
   C  22    0.0214288047
   C  23    0.0210309346
   C  24    0.2086007221
   C  25   -0.0042658463
   C  26   -0.0042658463
   C  27    0.0512708652
   C  28   -0.0003225279
   C  29   -0.0003225279
   C  30   -0.0000200236


BOND ANGLES
   2    1    3   C2  Nam   C3    110.316
   2    1    4   C2  Nam   N3    128.687
   3    1    4   C3  Nam   N3    120.997
   1    2    5  Nam   C2   C3    128.621
   1    2   10  Nam   C2   O2    115.611
   5    2   10   C3   C2   O2    115.768
   1    3    6  Nam   C3  Cac    120.419
   1    3   15  Nam   C3   C3    119.177
   6    3   15  Cac   C3   C3    120.405
   1    4   18  Nam   N3   C3    119.184
   1    4   19  Nam   N3   C3    128.300
  18    4   19   C3   N3   C3    112.516
   2    5    7   C2   C3   N3    165.239
   2    5   21   C2   C3   C3    128.393
   7    5   21   N3   C3   C3     36.846
   3    6   11   C3  Cac O.co2    120.146
   3    6   14   C3  Cac O.co2    119.699
  11    6   14 O.co2  Cac O.co2    120.156
   5    7    9   C3   N3   C3    119.863
   9    8   12   C3   C2   O2    119.492
   9    8   16   C3   C2   O3    120.645
  12    8   16   O2   C2   O3    119.863
   7    9    8   N3   C3   C2    120.645
   8    9   13   C2   C3   C3    119.492
   7    9   13   N3   C3   C3    119.863
   9   13   17   C3   C3   C3    120.365
   3   15   22   C3   C3   C3    120.119
   8   16   24   C2   O3   C3    120.009
  13   17   20   C3   C3  Car    120.365
   4   18   22   N3   C3   C3    120.871
   4   19   23   N3   C3   C3    128.624
  17   20   25   C3  Car  Car    120.069
  17   20   26   C3  Car  Car    120.150
  25   20   26  Car  Car  Car    119.782
   5   21   23   C3   C3   C3    128.534
  15   22   18   C3   C3   C3    119.653
  19   23   21   C3   C3   C3    128.841
  16   24   27   O3   C3   C3    119.262
  20   25   29  Car  Car  Car    119.782
  20   26   28  Car  Car  Car    120.150
  26   28   30  Car  Car  Car    120.069
  25   29   30  Car  Car  Car    120.150
  28   30   29  Car  Car  Car    120.069


TORSION ANGLES
   5    2    1    3    179.974
   5    2    1    4      0.026
  10    2    1    3      0.026
  10    2    1    4    179.974
   6    3    1    2      0.026
   6    3    1    4    179.974
  15    3    1    2    179.974
  15    3    1    4      0.026
  18    4    1    2    179.974
  18    4    1    3      0.026
  19    4    1    2      0.026
  19    4    1    3    179.974
   7    5    2    1      0.026
   7    5    2   10    179.974
  21    5    2    1      0.026
  21    5    2   10    179.974
   1    3    6   11      0.026
   1    3    6   14    179.974
  15    3    6   11    179.974
  15    3    6   14      0.026
   2    5    7    9    179.974
  21    5    7    9    179.974
   7    9    8   12      0.026
   7    9    8   16    179.974
  13    9    8   12    179.974
  13    9    8   16      0.026
   8    9    7    5      0.026
  13    9    7    5    179.974
  17   13    9    8      0.026
  17   13    9    7    179.974
  22   15    3    1      0.026
  22   15    3    6    179.974
  24   16    8    9      0.026
  24   16    8   12    179.974
  20   17   13    9    179.974
  22   18    4    1      0.026
  22   18    4   19    179.974
  23   19    4    1      0.026
  23   19    4   18    179.974
  25   20   17   13      0.026
  26   20   17   13    179.974
  23   21    5    2      0.026
  23   21    5    7    179.974
  15   22   18    4      0.026
  21   23   19    4      0.026
  27   24   16    8    179.974
  29   25   20   17    179.974
  29   25   20   26      0.026
  28   26   20   17    179.974
  28   26   20   25      0.026
  30   28   26   20      0.026
  30   29   25   20      0.026
  29   30   28   26      0.026
  19   23   21    5      0.026
  18   22   15    3      0.026
  25   29   30   28      0.026


CHIRAL ATOMS
  25   29   30   28      0.026
  25   29   30   28      0.026
  25   29   30   28      0.026
  25   29   30   28      0.026