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N-(tert-Butoxycarbonyl)-L-serine methyl ester
N-(tert-Butoxycarbonyl)-L-serine methyl ester
ID: BP-12291
CAS:2766-43-0
Supplier:BroadPharm

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SMILES:C(=O)(N[C@H](C(=O)OC)CO)OC(C)(C)C	
FORMULA: C9H17NO5
MASS: 219.2350
EXACT MASS: 219.1106726
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      O   5      O   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    2.4874     0.0000 
   N   3    1.4165     1.4583     0.0000 
   C   4    2.8667     1.4165     2.4874     0.0000 
   O   5    1.4963     2.9086     2.5335     2.5004     0.0000 
   O   6    1.4916     3.8553     2.5164     4.3583     2.5791     0.0000 
   O   7    4.3000     2.4657     3.8001     1.4333     3.7976     5.7916 
   C   8    2.5712     4.3538     3.8580     3.8228     1.4453     2.9913 
   O   9    2.4678     2.4626     2.8493     1.4328     1.4059     3.8330 
   C  10    3.7818     1.4238     2.4915     2.4666     4.3324     5.0079 
   O  11    4.9428     2.4555     3.7871     2.8445     5.1789     6.2797 
   C  12    3.5830     4.6838     4.6225     3.7364     2.1191     4.3306 
   C  13    2.9018     5.1719     4.3177     4.9350     2.4347     2.5750 
   C  14    3.9563     5.6673     5.2499     4.9609     2.7868     4.1824 
   C  15    3.7575     3.7495     4.2622     2.4585     2.4036     4.9821 

              O   7      C   8      O   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    4.9778     0.0000 
   O   9    2.4895     2.4898     0.0000 
   C  10    2.8528     5.7776     3.7712     0.0000 
   O  11    2.4667     6.5882     4.2773     1.4167     0.0000 
   C  12    4.5481     1.4376     2.3115     6.0525     6.5769     0.0000 
   C  13    6.2036     1.3833     3.7313     6.5667     7.5541     2.7019 
   C  14    5.9374     1.3933     3.5412     7.0853     7.7908     1.4892 
   C  15    2.8584     2.8065     1.4130     4.9251     5.1317     1.8414 

              C  13      C  14      C  15
              ---------------------------------
   C  13    0.0000 
   C  14    1.8422     0.0000 
   C  15    4.1890     3.3261     0.0000 



ATOMIC CHARGES
   C   1    0.4214370317
   C   2    0.2294689454
   N   3   -0.1562767253
   C   4    0.3399309840
   O   5   -0.4407882669
   O   6   -0.2245527867
   O   7   -0.2480956000
   C   8    0.1378772525
   O   9   -0.4431643307
   C  10    0.2151429308
   O  11   -0.2178643375
   C  12    0.0437421798
   C  13    0.0437421798
   C  14    0.0437421798
   C  15    0.2556583633


BOND ANGLES
   3    1    5  Nam   C2   O3    120.839
   3    1    6  Nam   C2   O2    119.810
   5    1    6   O3   C2   O2    119.351
   3    2    4  Nam   C3   C2    119.810
   3    2   10  Nam   C3   C3    119.642
   4    2   10   C2   C3   C3    120.548
   1    3    2   C2  Nam   C3    119.810
   2    4    7   C3   C2   O2    119.810
   2    4    9   C3   C2   O3    119.598
   7    4    9   O2   C2   O3    120.592
   1    5    8   C2   O3   C3    121.866
   5    8   12   O3   C3   C3     94.628
   5    8   13   O3   C3   C3    118.784
   5    8   14   O3   C3   C3    158.084
  12    8   13   C3   C3   C3    146.588
  12    8   14   C3   C3   C3     63.456
  13    8   14   C3   C3   C3     83.133
   4    9   15   C2   O3   C3    119.515
   2   10   11   C3   C3   O3    119.642


TORSION ANGLES
   4    2    3    1      0.026
  10    2    3    1    179.974
   2    3    1    5      0.026
   2    3    1    6    179.974
   7    4    2    3    179.974
   7    4    2   10      0.026
   9    4    2    3      0.026
   9    4    2   10    179.974
   8    5    1    3    179.974
   8    5    1    6      0.026
  12    8    5    1    179.974
  13    8    5    1      0.026
  14    8    5    1    179.974
  15    9    4    2    179.974
  15    9    4    7      0.026
  11   10    2    3    179.974
  11   10    2    4      0.026


CHIRAL ATOMS
  11   10    2    4      0.026