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2,5-diamino-5-oxo-pentanoic acid
2,5-diamino-5-oxo-pentanoic acid ID: AN-23566
CAS:56-85-9
Supplier:AN PharmaTech Co Ltd

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SMILES:OC(=O)C(N)CCC(=O)N	738
FORMULA: C5H10N2O3
MASS: 146.1445
EXACT MASS: 146.0691422
INTERATOMIC DISTANCES

              O   1      O   2      O   3      N   4      N   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   O   3    3.4641     4.5826     0.0000 
   N   4    2.6457     2.0000     3.6055     0.0000 
   N   5    4.5826     5.1962     1.7321     3.6056     0.0000 
   C   6    2.0000     2.6457     2.0000     1.7320     2.6458     0.0000 
   C   7    1.7320     1.7320     3.0000     1.0000     3.4641     1.0000 
   C   8    2.9999     3.4641     1.7320     2.0000     1.7321     1.0000 
   C   9    1.0000     1.0000     3.6055     1.7320     4.3589     1.7320 
   C  10    3.6055     4.3589     1.0000     3.0000     1.0001     1.7320 
   H  11    2.1943     3.1512     1.4332     2.3451     2.4059     0.6200 
   H  12    1.4331     2.4059     2.1944     2.0295     3.1513     0.6200 
   H  13    1.8396     1.2346     3.6200     0.8743     4.0131     1.6200 
   H  14    2.9561     3.1022     2.3451     1.4332     2.1829     1.0813 
   H  15    3.5888     3.8917     2.0295     2.1944     1.4155     1.5968 
   H  16    3.1408     2.6200     3.4849     0.6201     3.2069     1.8397 
   H  17    2.8291     1.7732     4.2100     0.6200     4.2101     2.2901 
   H  18    5.0104     5.7415     1.8397     4.2101     0.6200     3.1408 
   H  19    4.8212     5.2330     2.2901     3.4849     0.6200     2.8292 
   H  20    0.6201     1.8397     4.0130     3.1408     5.1928     2.6200 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7320     0.0000 
   C   9    1.0000     2.6457     0.0000 
   C  10    2.6457     1.0000     3.4641     0.0000 
   H  11    1.5967     1.0812     2.1829     1.4155     0.0000 
   H  12    1.0812     1.5968     1.4155     2.1829     0.7971     0.0000 
   H  13    0.6200     2.2901     0.8743     3.2380     2.2128     1.6309 
   H  14    1.4156     0.6200     2.4059     1.5967     1.4515     1.6889 
   H  15    2.1829     0.6200     3.1512     1.0812     1.6888     2.2064 
   H  16    1.4158     1.7733     2.2901     2.7431     2.3980     2.2860 
   H  17    1.4158     2.6200     1.8396     3.6200     2.9097     2.4959 
   H  18    4.0131     2.2901     4.8708     1.4158     2.8161     3.5956 
   H  19    3.5192     1.8397     4.4726     1.4158     2.7169     3.3947 
   H  20    2.2901     3.6200     1.4158     4.2100     2.7952     2.0484 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    1.8777     0.0000 
   H  15    2.6726     0.7971     0.0000 
   H  16    1.4674     1.1541     1.7992     0.0000 
   H  17    1.0000     2.0484     2.7952     1.0739     0.0000 
   H  18    4.5801     2.7806     2.0285     3.8242     4.8185     0.0000 
   H  19    4.0130     2.1355     1.3414     3.0074     4.0601     1.0739 
   H  20    2.2901     3.5651     4.2080     3.6740     3.2380     5.6084 

              H  19      H  20
              ----------------------
   H  19    0.0000 
   H  20    5.4400     0.0000 



ATOMIC CHARGES
   O   1   -0.4795342430
   O   2   -0.2492541011
   O   3   -0.2760329368
   N   4   -0.3183911554
   N   5   -0.3293213802
   C   6   -0.0191271396
   C   7    0.1036817143
   C   8    0.0256632755
   C   9    0.3217251298
   C  10    0.2105440313
   H  11    0.0290051150
   H  12    0.0290051150
   H  13    0.0573980756
   H  14    0.0358827826
   H  15    0.0358827826
   H  16    0.1189554268
   H  17    0.1189554268
   H  18    0.1449294396
   H  19    0.1449294396
   H  20    0.2951032015


BOND ANGLES
   9    1   20   C2   O3   HO    120.002
   7    4   16   C3   N3   HC    120.002
   7    4   17   C3   N3   HC    120.001
  16    4   17   HC   N3   HC    119.997
  10    5   18   C2  Nam   HC    119.998
  10    5   19   C2  Nam   HC    120.000
  18    5   19   HC  Nam   HC    120.002
   7    6    8   C3   C3   C3    120.001
   7    6   11   C3   C3   HC    160.004
   7    6   12   C3   C3   HC     79.997
   8    6   11   C3   C3   HC     79.995
   8    6   12   C3   C3   HC    160.002
  11    6   12   HC   C3   HC     80.007
   4    7    6   N3   C3   C3    120.001
   4    7    9   N3   C3   C2    119.999
   4    7   13   N3   C3   HC     59.999
   6    7    9   C3   C3   C2    120.001
   6    7   13   C3   C3   HC    179.974
   9    7   13   C2   C3   HC     59.999
   6    8   10   C3   C3   C2    120.001
   6    8   14   C3   C3   HC     80.004
   6    8   15   C3   C3   HC    160.002
  10    8   14   C2   C3   HC    159.996
  10    8   15   C2   C3   HC     79.997
  14    8   15   HC   C3   HC     79.999
   1    9    2   O3   C2   O2    120.001
   1    9    7   O3   C2   C3    119.999
   2    9    7   O2   C2   C3    120.001
   3   10    5   O2   C2  Nam    120.001
   3   10    8   O2   C2   C3    120.001
   5   10    8  Nam   C2   C3    119.998


TORSION ANGLES
  20    1    9    2      0.026
  20    1    9    7    179.974
  16    4    7    6      0.026
  16    4    7    9    179.974
  16    4    7   13    179.974
  17    4    7    6    179.974
  17    4    7    9      0.026
  17    4    7   13      0.026
  18    5   10    3      0.026
  18    5   10    8    179.974
  19    5   10    3    179.974
  19    5   10    8      0.026
   8    6    7    4      0.026
   8    6    7    9    179.974
   8    6    7   13    180.000
  11    6    7    4    179.974
  11    6    7    9      0.026
  11    6    7   13    180.000
  12    6    7    4    179.974
  12    6    7    9      0.026
  12    6    7   13    180.000
   7    6    8   10    179.974
   7    6    8   14      0.026
   7    6    8   15      0.026
  11    6    8   10      0.026
  11    6    8   14    179.974
  11    6    8   15    179.974
  12    6    8   10      0.026
  12    6    8   14    179.974
  12    6    8   15    179.974
   4    7    9    1    179.974
   4    7    9    2      0.026
   6    7    9    1      0.026
   6    7    9    2    179.974
  13    7    9    1    179.974
  13    7    9    2      0.026
   6    8   10    3      0.026
   6    8   10    5    179.974
  14    8   10    3    179.974
  14    8   10    5      0.026
  15    8   10    3    179.974
  15    8   10    5      0.026


CHIRAL ATOMS
  15    8   10    5      0.026