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(3R)-(+)-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
(3R)-(+)-3-(TERT-BUTOXYCARBONYLAMINO)PYRROLIDINE
ID: BP-10491
CAS:122536-77-0
Supplier:BroadPharm

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SMILES:C(=O)(N[C@@H]1CCNC1)OC(C)(C)C	
FORMULA: C9H18N2O2
MASS: 186.2514
EXACT MASS: 186.1368278
INTERATOMIC DISTANCES

              C   1      N   2      O   3      O   4      N   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   N   2    1.4470     0.0000 
   O   3    1.4399     2.4667     0.0000 
   O   4    1.3875     2.4699     2.4657     0.0000 
   N   5    3.7887     3.4785     5.2261     3.1916     0.0000 
   C   6    2.4421     3.7468     1.4042     2.8292     5.9648     0.0000 
   C   7    2.4129     1.3720     3.7099     2.8041     2.3371     4.8542 
   C   8    3.9000     2.7661     5.1837     4.1395     2.3413     6.3418 
   C   9    4.5247     3.7466     5.9355     4.3001     1.4458     6.8959 
   C  10    2.3344     2.1727     3.7733     1.9349     1.4560     4.5786 
   C  11    3.7838     4.9377     2.4712     4.2941     7.4159     1.4649 
   C  12    2.5106     3.9574     2.2798     2.1170     5.2725     1.4291 
   C  13    3.1084     4.5486     2.5906     2.8310     5.9860     1.3845 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.4881     0.0000 
   C   9    2.3802     1.4640     0.0000 
   C  10    1.4325     2.3621     2.3688     0.0000 
   C  11    6.1583     7.6411     8.2970     6.0120     0.0000 
   C  12    4.7382     6.1663     6.4170     4.0502     2.6634     0.0000 
   C  13    5.4076     6.8513     7.1302     4.7625     2.2542     0.7152 

              C  13
              -----------
   C  13    0.0000 



ATOMIC CHARGES
   C   1    0.4208923630
   N   2   -0.1689683229
   O   3   -0.4407972642
   O   4   -0.2245672917
   N   5   -0.2161789107
   C   6    0.1378771144
   C   7    0.1174721209
   C   8    0.0420526172
   C   9    0.0905789563
   C  10    0.1104120801
   C  11    0.0437421792
   C  12    0.0437421792
   C  13    0.0437421792


BOND ANGLES
   5    9    8   N3   C3   C3    107.147
   9    8    7   C3   C3   C3    107.462
   8    9    5   C3   C3   N3    107.147
   9    5   10   C3   N3   C3    109.439


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


CHIRAL ATOMS
   C     6 is chiral: counterclockwise
   C     7 is chiral: counterclockwise