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Fmoc-L-lysine
Fmoc-L-lysine ID: API-28827
CAS:105047-45-8
Supplier:APIchem

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SMILES:C(=O)([C@H](CCCCN)NC(=O)OCC1c2ccccc2c2ccccc12)O	ChemMol.com
FORMULA: C21H24N2O4
MASS: 368.4263
EXACT MASS: 368.1736073
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.5230     0.0000 
   C   3    2.6379     1.5230     0.0000 
   C   4    3.0460     2.6379     1.5230     0.0000 
   C   5    4.5690     4.0295     2.6379     1.5230     0.0000 
   C   6    5.4912     5.2758     4.0294     2.6379     1.5230     0.0000 
   O   7    1.5230     2.6379     4.0295     4.5690     6.0921     6.9793 
   O   8    1.5230     2.6379     3.0460     2.6379     4.0295     4.5689 
   N   9    6.9793     6.6386     5.2758     4.0295     2.6379     1.5230 
   N  10    2.6379     1.5230     2.6380     4.0295     5.2759     6.6386 
   C  11    3.0460     2.6379     4.0295     5.2758     6.6386     7.9137 
   O  12    2.6379     3.0460     4.5690     5.4912     6.9793     8.0589 
   O  13    4.5690     4.0295     5.2759     6.6386     7.9138     9.2641 
   C  14    5.4912     5.2758     6.6386     7.9137     9.2641    10.5516 
   C  15    6.9793     6.6386     7.9138     9.2641    10.5517    11.8950 
   C  16    7.7492     7.1272     8.2139     9.6638    10.8175    12.2432 
   C  17    7.5633     6.6711     7.5340     9.0398    10.0466    11.5261 
   C  18    8.8997     7.8799     8.5666    10.0891    10.9564    12.4661 
   C  19   10.2007     9.2724    10.0358    11.5557    12.4593    13.9645 
   C  20   10.3393     9.6058    10.5558    12.0501    13.0888    14.5621 
   C  21    9.2140     8.6418     9.7365    11.1862    12.3373    13.7659 
   C  22    9.4295     9.0948    10.3369    11.7126    12.9722    14.3377 
   C  23   10.7840    10.5385    11.8155    13.1676    14.4531    15.7997 
   C  24   11.0140    10.9766    12.3483    13.6124    14.9750    16.2488 
   C  25    9.9470    10.0781    11.5151    12.6886    14.1064    15.3086 
   C  26    8.4595     8.5570     9.9920    11.1713    12.5847    13.7945 
   C  27    8.1578     7.9874     9.3257    10.6249    11.9591    13.2627 

              O   7      O   8      N   9      N  10      C  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    2.6380     0.0000 
   N   9    8.4798     6.0920     0.0000 
   N  10    3.0460     4.0295     7.9138     0.0000 
   C  11    2.6379     4.5690     9.2641     1.5230     0.0000 
   O  12    1.5230     4.0295     9.5111     2.6379     1.5230     0.0000 
   O  13    4.0295     6.0921    10.5517     2.6379     1.5230     2.6379 
   C  14    4.5689     6.9793    11.8950     4.0294     2.6379     3.0460 
   C  15    6.0920     8.4798    13.1896     5.2758     4.0295     4.5690 
   C  16    7.0949     9.2721    13.4345     5.6421     4.7035     5.6014 
   C  17    7.2045     9.0643    12.6105     5.1482     4.6050     5.8229 
   C  18    8.6528    10.3736    13.4393     6.3754     6.0260     7.3092 
   C  19    9.8118    11.6992    14.9555     7.7536     7.2344     8.3913 
   C  20    9.7317    11.8610    15.6565     8.0900     7.2976     8.2392 
   C  21    8.4699    10.7347    14.9511     7.1628     6.1764     6.9545 
   C  22    8.4699    10.9202    15.6084     7.7033     6.4935     6.9545 
   C  23    9.7317    12.2506    17.0908     9.1780     7.9151     8.2392 
   C  24    9.8119    12.4148    17.6050     9.7276     8.3422     8.3914 
   C  25    8.6528    11.2849    16.7123     8.9510     7.4867     7.3093 
   C  26    7.2044     9.8245    15.1929     7.4312     5.9636     5.8228 
   C  27    7.0949     9.6163    14.5941     6.6958     5.3501     5.6014 

              O  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   O  13    0.0000 
   C  14    1.5230     0.0000 
   C  15    2.6379     1.5230     0.0000 
   C  16    3.1808     2.7140     1.5229     0.0000 
   C  17    3.1883     3.4388     2.7827     1.5231     0.0000 
   C  18    4.6717     4.9446     4.1134     2.6380     1.5229     0.0000 
   C  19    5.7825     5.7109     4.5468     3.0461     2.6379     1.5230 
   C  20    5.7784     5.3062     3.9050     2.6379     3.0460     2.6379 
   C  21    4.6616     3.9409     2.4643     1.5230     2.6379     3.0460 
   C  22    5.0742     3.9409     2.4642     2.4642     3.9051     4.5468 
   C  23    6.5409     5.3062     3.9050     3.9666     5.3539     5.7968 
   C  24    7.1198     5.7110     4.5468     5.0395     6.5242     7.1594 
   C  25    6.4468     4.9447     4.1134     5.0394     6.5612     7.4819 
   C  26    4.9522     3.4387     2.7826     3.9665     5.4437     6.5611 
   C  27    4.0765     2.7140     1.5230     2.4642     3.9667     5.0395 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.5230     0.0000 
   C  21    2.6380     1.5230     0.0000 
   C  22    4.1135     2.7827     1.5230     0.0000 
   C  23    5.0608     3.5612     2.7826     1.5230     0.0000 
   C  24    6.5407     5.0609     4.1134     2.6379     1.5231     0.0000 
   C  25    7.1594     5.7969     4.5468     3.0460     2.6379     1.5230 
   C  26    6.5241     5.3539     3.9050     2.6379     3.0460     2.6380 
   C  27    5.0395     3.9667     2.4643     1.5230     2.6379     3.0461 

              C  25      C  26      C  27
              ---------------------------------
   C  25    0.0000 
   C  26    1.5231     0.0000 
   C  27    2.6379     1.5229     0.0000 



ATOMIC CHARGES
   C   1    0.3843179625
   C   2    0.2011344527
   C   3    0.0334539048
   C   4    0.0038799766
   C   5    0.0205720317
   C   6    0.1093073233
   O   7   -0.2437477347
   O   8   -0.2437477347
   N   9   -0.1313873305
   N  10   -0.1589008191
   C  11    0.4216000960
   O  12   -0.2245503637
   O  13   -0.4328168839
   C  14    0.2187328293
   C  15    0.0883906209
   C  16   -0.0148013613
   C  17   -0.0038379889
   C  18   -0.0003110332
   C  19   -0.0000197602
   C  20   -0.0003110332
   C  21   -0.0038379889
   C  22   -0.0038379889
   C  23   -0.0003110332
   C  24   -0.0000197602
   C  25   -0.0003110332
   C  26   -0.0038379889
   C  27   -0.0148013613


BOND ANGLES
   2    1    7   C3  Cac O.co2    119.999
   2    1    8   C3  Cac O.co2    119.999
   7    1    8 O.co2  Cac O.co2    120.002
   1    2    3  Cac   C3   C3    119.999
   1    2   10  Cac   C3  Nam    119.999
   3    2   10   C3   C3  Nam    120.002
   2    3    4   C3   C3   C3    120.000
   3    4    5   C3   C3   C3    120.000
   4    5    6   C3   C3   C3    120.000
   5    6    9   C3   C3   N3    120.000
   2   10   11   C3  Nam   C2    120.000
  12   11   13   O2   C2   O3    119.999
  10   11   12  Nam   C2   O2    120.001
  10   11   13  Nam   C2   O3    120.000
  11   13   14   C2   O3   C3    120.000
  13   14   15   O3   C3   C3    120.000
  16   15   27  Car   C3  Car    108.001
  14   15   16   C3   C3  Car    126.000
  14   15   27   C3   C3  Car    125.999
  15   16   17   C3  Car  Car    132.002
  15   16   21   C3  Car  Car    108.002
  17   16   21  Car  Car  Car    119.996
  16   17   18  Car  Car  Car    120.002
  17   18   19  Car  Car  Car    120.002
  18   19   20  Car  Car  Car    119.999
  19   20   21  Car  Car  Car    120.001
  16   21   20  Car  Car  Car    120.000
  20   21   22  Car  Car  Car    132.002
  16   21   22  Car  Car  Car    107.997
  21   22   23  Car  Car  Car    131.998
  21   22   27  Car  Car  Car    108.000
  23   22   27  Car  Car  Car    120.002
  22   23   24  Car  Car  Car    120.000
  23   24   25  Car  Car  Car    119.997
  24   25   26  Car  Car  Car    119.999
  25   26   27  Car  Car  Car    120.001
  22   27   26  Car  Car  Car    120.000
  15   27   26   C3  Car  Car    132.001
  15   27   22   C3  Car  Car    107.999


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


CHIRAL ATOMS
   3    2   10   11    179.974