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Boc-L-Val-OH
Boc-L-Val-OH ID: B182971
CAS:13734-41-3
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:C(OC(=O)N[C@H](C(C)C)C(=O)O)(C)(C)C	
FORMULA: C10H19NO4
MASS: 217.2622
EXACT MASS: 217.1314081
INTERATOMIC DISTANCES

              C   1      O   2      C   3      N   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   O   2    0.7468     0.0000 
   C   3    1.2917     0.7448     0.0000 
   N   4    1.9742     1.2917     0.7468     0.0000 
   C   5    2.5833     1.9719     1.2916     0.7447     0.0000 
   C   6    0.7432     1.2874     1.9686     2.5791     3.2457     0.0000 
   C   7    2.6826     2.2306     1.4858     1.2879     0.7458     3.4075 
   O   8    1.4859     1.2880     0.7458     1.2956     1.4971     2.2291 
   C   9    0.7458     1.2956     1.4971     2.2439     2.6951     1.2894 
   C  10    0.7390     1.4858     1.9685     2.6848     3.2466     0.7417 
   C  11    3.4073     2.9735     2.2287     1.9672     1.2889     4.1387 
   C  12    2.2270     1.9617     1.2813     1.4839     1.2888     2.9701 
   C  13    3.2519     2.5834     1.9743     1.2917     0.7469     3.8708 
   O  14    3.8713     3.2461     2.5796     1.9687     1.2880     4.5276 
   O  15    3.4189     2.6893     2.2383     1.4915     1.2914     3.9418 

              C   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   O   8    1.2916     0.0000 
   C   9    2.5833     1.2917     0.0000 
   C  10    3.2421     1.9653     0.7417     0.0000 
   C  11    0.7428     1.9683     3.2456     3.9336     0.0000 
   C  12    0.7428     0.7411     1.9707     2.6789     1.2872     0.0000 
   C  13    1.2956     2.2440     3.4248     3.9428     1.4952     1.9731 
   O  14    1.4927     2.6908     3.9484     4.5286     1.2968     2.2355 
   O  15    1.9744     2.6940     3.7354     4.1477     2.2393     2.5802 

              C  13      O  14      O  15
              ---------------------------------
   C  13    0.0000 
   O  14    0.7427     0.0000 
   O  15    0.7441     1.2895     0.0000 



ATOMIC CHARGES
   C   1    0.1378772484
   O   2   -0.4407889640
   C   3    0.4213598443
   N   4   -0.1589045491
   C   5    0.2010649615
   C   6    0.0437421798
   C   7    0.0312002159
   O   8   -0.2245539039
   C   9    0.0437421798
   C  10    0.0437421798
   C  11    0.0023485307
   C  12    0.0023485307
   C  13    0.3843170240
   O  14   -0.2437477389
   O  15   -0.2437477389


BOND ANGLES
   6    1   10   C3   C3   C3     60.055
   2    1   10   O3   C3   C3    179.607
   9    1   10   C3   C3   C3     59.935
   2    1    6   O3   C3   C3    119.552
   6    1    9   C3   C3   C3    119.990
   2    1    9   O3   C3   C3    120.458
   1    2    3   C3   O3   C2    119.991
   2    3    8   O3   C2   O2    119.551
   2    3    4   O3   C2  Nam    119.991
   4    3    8  Nam   C2   O2    120.458
   3    4    5   C2  Nam   C3    119.994
   4    5   13  Nam   C3  Cac    119.998
   4    5    7  Nam   C3   C3    119.548
   7    5   13   C3   C3  Cac    120.454
  11    7   12   C3   C3   C3    120.098
   5    7   11   C3   C3   C3    119.950
   5    7   12   C3   C3   C3    119.952
   5   13   14   C3  Cac O.co2    119.689
   5   13   15   C3  Cac O.co2    120.023
  14   13   15 O.co2  Cac O.co2    120.288


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


CHIRAL ATOMS
   8    3    4    5      0.026