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(2S,4S)-1-(tert-butoxycarbonyl)-4-azidopyrrolidine-2-carboxylic acid
(2S,4S)-1-(tert-butoxycarbonyl)-4-azidopyrrolidine-2-carboxylic acid
ID: BP-11857
CAS:132622-65-2
Supplier:BroadPharm

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SMILES:[C@H]1(CN([C@@H](C1)C(=O)O)C(=O)OC(C)(C)C)N=[N+]=[N-]	
FORMULA: C10H16N4O4
MASS: 256.2584
EXACT MASS: 256.1171550
INTERATOMIC DISTANCES

              C   1      C   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6000     0.0000 
   N   3    0.9708     0.6000     0.0000 
   C   4    0.9708     0.9708     0.6000     0.0000 
   C   5    0.6000     0.9708     0.9708     0.6000     0.0000 
   C   6    1.5505     1.5505     1.0674     0.5979     1.0674     0.0000 
   C   7    1.5506     1.0674     0.5980     1.0674     1.5506     1.3029 
   O   8    1.8331     1.9954     1.6024     1.0356     1.2499     0.5979 
   O   9    1.9954     1.8331     1.2499     1.0356     1.6024     0.5979 
   O  10    1.6708     1.0801     0.9310     1.5187     1.8697     1.8671 
   O  11    1.9159     1.5511     0.9692     1.1392     1.7280     1.0671 
   C  12    2.5002     2.0887     1.5366     1.7357     2.3274     1.5794 
   C  13    3.0185     2.6527     2.0776     2.1702     2.7701     1.8705 
   C  14    2.6797     2.1733     1.7208     2.0808     2.6339     2.0609 
   C  15    2.4567     2.1717     1.5734     1.5523     2.1471     1.2069 
   N  16    0.5966     1.0659     1.5491     1.5493     1.0664     2.1070 
   N  17    1.1363     1.4393     2.0043     2.1071     1.6598     2.6822 
   N  18    1.7150     1.9291     2.5199     2.6822     2.2555     3.2655 

              C   7      O   8      O   9      O  10      O  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.8985     0.0000 
   O   9    1.1921     1.0356     0.0000 
   O  10    0.6001     2.4524     1.7916     0.0000 
   O  11    0.6000     1.6392     0.7096     1.1592     0.0000 
   C  12    1.0392     2.0980     1.0687     1.4366     0.6000     0.0000 
   C  13    1.6262     2.2848     1.2803     2.0340     1.1086     0.5999 
   C  14    1.1292     2.6197     1.6190     1.2633     0.9960     0.5979 
   C  15    1.2647     1.6293     0.6147     1.8017     0.6654     0.5979 
   N  16    2.1067     2.3069     2.5823     2.1293     2.5069     3.0852 
   N  17    2.5054     2.9041     3.1274     2.3981     2.9733     3.5261 
   N  18    2.9716     3.5015     3.6888     2.7718     3.4802     4.0079 

              C  13      C  14      C  15      N  16      N  17      N  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    0.9960     0.0000 
   C  15    0.6656     1.1958     0.0000 
   N  16    3.6121     3.2294     3.0532     0.0000 
   N  17    4.0812     3.5928     3.5599     0.5980     0.0000 
   N  18    4.5802     4.0129     4.0911     1.1959     0.5979     0.0000 




ATOMIC CHARGES
   C   1    0.2092652627
   C   2    0.1288809148
   N   3   -0.2348206384
   C   4    0.1838132951
   C   5    0.0650149056
   C   6    0.3826186955
   C   7    0.4050900496
   O   8   -0.2438144143
   O   9   -0.2438144143
   O  10   -0.2261856967
   O  11   -0.4417810294
   C  12    0.1378300119
   C  13    0.0437415191
   C  14    0.0437415191
   C  15    0.0437415191
   N  16    0.0888157981
   N  17   -0.0139912013
   N  18   -0.3281460962


BOND ANGLES
   5    1   16   C3   C3   N2    126.056
   2    1    5   C3   C3   C3    108.000
   2    1   16   C3   C3   N2    125.944
   1    2    3   C3   C3  Nam    108.000
   2    3    7   C3  Nam   C2    126.002
   4    3    7   C3  Nam   C2    125.996
   2    3    4   C3  Nam   C3    108.003
   3    4    6  Nam   C3  Cac    126.003
   5    4    6   C3   C3  Cac    126.003
   3    4    5  Nam   C3   C3    107.994
   1    5    4   C3   C3   C3    108.003
   4    6    8   C3  Cac O.co2    119.996
   4    6    9   C3  Cac O.co2    119.996
   8    6    9 O.co2  Cac O.co2    120.009
   3    7   10  Nam   C2   O2    101.994
   3    7   11  Nam   C2   O3    108.002
  10    7   11   O2   C2   O3    150.004
   7   11   12   C2   O3   C3    120.001
  11   12   13   O3   C3   C3    135.003
  11   12   14   O3   C3   C3    112.495
  11   12   15   O3   C3   C3     67.492
  13   12   14   C3   C3   C3    112.502
  13   12   15   C3   C3   C3     67.511
  14   12   15   C3   C3   C3    179.974
   1   16   17   C3   N2   N2    144.056
  16   17   18   N2   N2   N2    179.974


TORSION ANGLES
   4    5    1   16    179.974
   4    5    1    2      0.026
   5    1   16   17    179.974
   2    1   16   17      0.026
   3    4    6    8    179.974
   3    4    6    9      0.026
   5    4    6    8      0.026
   5    4    6    9    179.974
   2    3    7   10      0.026
   2    3    7   11    179.974
   4    3    7   10    179.974
   4    3    7   11      0.026
   3    7   11   12    179.974
  10    7   11   12      0.026
   7   11   12   13    179.974
   7   11   12   14      0.026
   7   11   12   15    179.974
   5    1    2    3      0.026
  16    1    2    3    179.974
   1    2    3    7    179.974
   1    2    3    4      0.026
   7    3    4    6      0.026
   7    3    4    5    179.974
   2    3    4    6    179.974
   2    3    4    5      0.026
   6    4    5    1    179.974
   3    4    5    1      0.026
   1   16   17   18    180.000


CHIRAL ATOMS
   1   16   17   18    180.000
   1   16   17   18    180.000