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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:15 UTC

Update Date

2021-09-14 15:36:50 UTC

HMDB ID

HMDB0028726

Secondary Accession Numbers

HMDB28726

Metabolite Identification

Common Name

Asparaginylasparagine

Description

Asparaginylasparagine, also known as N-N or L-asn-L-asn, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Asparaginylasparagine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make asparaginylasparagine a potential biomarker for the consumption of these foods. Asparaginylasparagine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on Asparaginylasparagine.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0028726
     RDKit          3D
Asparaginylasparagine
 31 30  0  0  0  0  0  0  0  0999 V2000
   -4.9946   -1.0457   -0.5210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910   -1.1898    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639   -1.5238    1.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184   -0.9508   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0642    0.4462    0.2079 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0040    1.3538   -0.4341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844    0.6635   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927    1.5542   -1.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3729   -0.1134    0.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261    0.1402   -0.2903 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5566    0.5632    0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9361    0.8908    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    1.2163    1.5736 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3449    0.8994   -0.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773   -1.1297   -0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4224   -2.1352   -0.8905 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983   -1.2768   -1.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7351   -1.7952   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1519   -0.2157   -1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115   -1.7001    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5159   -1.0624   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    0.5643    1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5273    2.2409   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7892    1.6147    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073   -0.8397    0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291    0.9412   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    1.4408    1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -0.2721    1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    2.0075    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7512    0.6440    1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755   -1.9305   -2.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  1
  6 23  1  0
  6 24  1  0
  9 25  1  0
 10 26  1  6
 11 27  1  0
 11 28  1  0
 13 29  1  0
 13 30  1  0
 17 31  1  0
M  END

  Mrv1652304062013252D          

 17 16  0  0  0  0            999 V2000
 2498.1130 2497.1292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2498.1130 2497.9534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8250 2498.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5387 2497.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8250 2499.1891    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2498.1130 2499.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.3989 2499.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.6544 2499.6186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2497.3989 2498.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5387 2499.6023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2497.3970 2496.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.6831 2497.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2495.9692 2496.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.6831 2497.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8269 2496.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5408 2497.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8269 2495.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028726

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H14N4O5/c9-3(1-5(10)13)7(15)12-4(8(16)17)2-6(11)14/h3-4H,1-2,9H2,(H2,10,13)(H2,11,14)(H,12,15)(H,16,17)/t3-,4-/m0/s1

> <INCHI_KEY>
RJUHZPRQRQLCFL-IMJSIDKUSA-N

> <FORMULA>
C8H14N4O5

> <MOLECULAR_WEIGHT>
246.223

> <EXACT_MASS>
246.096419567

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
22.27158245067104

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

> <ALOGPS_LOGP>
-3.52

> <JCHEM_LOGP>
-6.277213734724329

> <ALOGPS_LOGS>
-1.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.96221886361921

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3281721552739834

> <JCHEM_PKA_STRONGEST_BASIC>
7.346728586170008

> <JCHEM_POLAR_SURFACE_AREA>
178.59999999999997

> <JCHEM_REFRACTIVITY>
53.50990000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.60e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028726
     RDKit          3D
Asparaginylasparagine
 31 30  0  0  0  0  0  0  0  0999 V2000
   -4.9946   -1.0457   -0.5210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910   -1.1898    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639   -1.5238    1.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184   -0.9508   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0642    0.4462    0.2079 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0040    1.3538   -0.4341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844    0.6635   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927    1.5542   -1.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3729   -0.1134    0.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261    0.1402   -0.2903 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5566    0.5632    0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9361    0.8908    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    1.2163    1.5736 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3449    0.8994   -0.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773   -1.1297   -0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4224   -2.1352   -0.8905 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983   -1.2768   -1.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7351   -1.7952   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1519   -0.2157   -1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115   -1.7001    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5159   -1.0624   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    0.5643    1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5273    2.2409   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7892    1.6147    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073   -0.8397    0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291    0.9412   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    1.4408    1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -0.2721    1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    2.0075    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7512    0.6440    1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755   -1.9305   -2.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  1
  6 23  1  0
  6 24  1  0
  9 25  1  0
 10 26  1  6
 11 27  1  0
 11 28  1  0
 13 29  1  0
 13 30  1  0
 17 31  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    4663.1444661.308   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4663.1444662.846   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4664.4734663.614   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    4665.8064662.846   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    4664.4734665.153   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4663.1444665.924   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4661.8114665.153   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0    4660.4224665.955   0.000  0.00  0.00           N+0
HETATM    9  O   UNK     0    4661.8114663.614   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0    4665.8064665.924   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0    4661.8084660.536   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    4660.4754661.308   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0    4659.1434660.536   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0    4660.4754662.846   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0    4664.4774660.536   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0    4665.8094661.308   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0    4664.4774658.997   0.000  0.00  0.00           O+0
CONECT    1    2   11   15                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5                                                            
CONECT   11    1   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    1   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END

COMPND    HMDB0028726
HETATM    1  N1  UNL     1      -4.995  -1.046  -0.521  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.891  -1.190   0.334  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.064  -1.524   1.526  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.518  -0.951  -0.155  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.064   0.446   0.208  1.00  0.00           C  
HETATM    6  N2  UNL     1      -3.004   1.354  -0.434  1.00  0.00           N  
HETATM    7  C4  UNL     1      -0.684   0.663  -0.277  1.00  0.00           C  
HETATM    8  O2  UNL     1      -0.493   1.554  -1.140  1.00  0.00           O  
HETATM    9  N3  UNL     1       0.373  -0.113   0.224  1.00  0.00           N  
HETATM   10  C5  UNL     1       1.726   0.140  -0.290  1.00  0.00           C  
HETATM   11  C6  UNL     1       2.557   0.563   0.873  1.00  0.00           C  
HETATM   12  C7  UNL     1       3.936   0.891   0.549  1.00  0.00           C  
HETATM   13  N4  UNL     1       4.876   1.216   1.574  1.00  0.00           N  
HETATM   14  O3  UNL     1       4.345   0.899  -0.628  1.00  0.00           O  
HETATM   15  C8  UNL     1       2.177  -1.130  -0.908  1.00  0.00           C  
HETATM   16  O4  UNL     1       1.422  -2.135  -0.891  1.00  0.00           O  
HETATM   17  O5  UNL     1       3.398  -1.277  -1.512  1.00  0.00           O  
HETATM   18  H1  UNL     1      -5.735  -1.795  -0.588  1.00  0.00           H  
HETATM   19  H2  UNL     1      -5.152  -0.216  -1.127  1.00  0.00           H  
HETATM   20  H3  UNL     1      -1.812  -1.700   0.236  1.00  0.00           H  
HETATM   21  H4  UNL     1      -2.516  -1.062  -1.277  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.134   0.564   1.290  1.00  0.00           H  
HETATM   23  H6  UNL     1      -2.527   2.241  -0.761  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.789   1.615   0.190  1.00  0.00           H  
HETATM   25  H8  UNL     1       0.207  -0.840   0.930  1.00  0.00           H  
HETATM   26  H9  UNL     1       1.729   0.941  -1.035  1.00  0.00           H  
HETATM   27  H10 UNL     1       2.039   1.441   1.336  1.00  0.00           H  
HETATM   28  H11 UNL     1       2.560  -0.272   1.620  1.00  0.00           H  
HETATM   29  H12 UNL     1       4.705   2.007   2.210  1.00  0.00           H  
HETATM   30  H13 UNL     1       5.751   0.644   1.681  1.00  0.00           H  
HETATM   31  H14 UNL     1       3.575  -1.931  -2.270  1.00  0.00           H  
CONECT    1    2   18   19
CONECT    2    3    3    4
CONECT    4    5   20   21
CONECT    5    6    7   22
CONECT    6   23   24
CONECT    7    8    8    9
CONECT    9   10   25
CONECT   10   11   15   26
CONECT   11   12   27   28
CONECT   12   13   14   14
CONECT   13   29   30
CONECT   15   16   16   17
CONECT   17   31
END

HMDB0028726
     RDKit          3D
Asparaginylasparagine
 31 30  0  0  0  0  0  0  0  0999 V2000
   -4.9946   -1.0457   -0.5210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910   -1.1898    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639   -1.5238    1.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184   -0.9508   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0642    0.4462    0.2079 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0040    1.3538   -0.4341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844    0.6635   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927    1.5542   -1.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3729   -0.1134    0.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261    0.1402   -0.2903 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5566    0.5632    0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9361    0.8908    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    1.2163    1.5736 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3449    0.8994   -0.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773   -1.1297   -0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4224   -2.1352   -0.8905 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983   -1.2768   -1.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7351   -1.7952   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1519   -0.2157   -1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115   -1.7001    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5159   -1.0624   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    0.5643    1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5273    2.2409   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7892    1.6147    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073   -0.8397    0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291    0.9412   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    1.4408    1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -0.2721    1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    2.0075    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7512    0.6440    1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755   -1.9305   -2.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  1
  6 23  1  0
  6 24  1  0
  9 25  1  0
 10 26  1  6
 11 27  1  0
 11 28  1  0
 13 29  1  0
 13 30  1  0
 17 31  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
L-Asn-L-asn	ChEBI
N-N	ChEBI
NN	ChEBI
Asn-asn	HMDB
Asparagine asparagine dipeptide	HMDB
Asparagine-asparagine dipeptide	HMDB
Asparaginyl-asparagine	HMDB
L-Asparaginyl-L-asparagine	HMDB
N-N Dipeptide	HMDB
N2-Asparaginylasparagine	HMDB
N2-L-Asparaginyl-L-asparagine	HMDB
NN Dipeptide	HMDB

Chemical Formula

C₈H₁₄N₄O₅

Average Molecular Weight

246.223

Monoisotopic Molecular Weight

246.096419567

IUPAC Name

(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

CAS Registry Number

58471-52-6

SMILES

N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O

InChI Identifier

InChI=1S/C8H14N4O5/c9-3(1-5(10)13)7(15)12-4(8(16)17)2-6(11)14/h3-4H,1-2,9H2,(H2,10,13)(H2,11,14)(H,12,15)(H,16,17)/t3-,4-/m0/s1

InChI Key

RJUHZPRQRQLCFL-IMJSIDKUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Asparagine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
N-acyl-amine
Fatty amide
Fatty acid
Fatty acyl
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxamide group
Amino acid or derivatives
Amino acid
Monocarboxylic acid or derivatives
Carboxylic acid
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Organic oxide
Carbonyl group
Organopnictogen compound
Amine
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73406 )

Ontology

Not Available

Endogenous (HMDB: HMDB0028726)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-6.28	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.6 g/L	ALOGPS
logP	-3.5	ALOGPS
logP	-6.3	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.33	ChemAxon
pKa (Strongest Basic)	7.35	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	178.6 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	53.51 m³·mol⁻¹	ChemAxon
Polarizability	22.27 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	156.978	30932474
DeepCCS	[M-H]-	154.583	30932474
DeepCCS	[M-2H]-	187.508	30932474
DeepCCS	[M+Na]+	163.034	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Asparaginylasparagine	N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O	3105.2	Standard polar	33892256
Asparaginylasparagine	N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O	2161.6	Standard non polar	33892256
Asparaginylasparagine	N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O	2883.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Asparaginylasparagine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O	2416.5	Semi standard non polar	33892256
Asparaginylasparagine,1TMS,isomer #2	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O	2471.2	Semi standard non polar	33892256
Asparaginylasparagine,1TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O	2502.6	Semi standard non polar	33892256
Asparaginylasparagine,1TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O	2504.1	Semi standard non polar	33892256
Asparaginylasparagine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(N)=O)C(=O)O	2433.1	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O[Si](C)(C)C	2494.9	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O[Si](C)(C)C	2416.6	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #10	C[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2617.1	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #10	C[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2499.8	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #11	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2502.9	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #11	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2466.9	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O)[Si](C)(C)C	2610.5	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O)[Si](C)(C)C	2521.1	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C	2501.9	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C	2475.2	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2490.1	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2372.1	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2493.1	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2444.6	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C	2463.2	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C	2327.3	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2539.9	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2512.4	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #6	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C)C(=O)O	2540.9	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #6	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C)C(=O)O	2523.6	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #7	C[Si](C)(C)N([C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2587.8	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #7	C[Si](C)(C)N([C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2484.8	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2511.9	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2383.6	Standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O	2590.2	Semi standard non polar	33892256
Asparaginylasparagine,2TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O	2602.7	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2547.4	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2496.6	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #10	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2625.2	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #10	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2666.2	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2638.5	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2575.0	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2661.9	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2628.7	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2531.4	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2543.5	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2637.4	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2587.3	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2521.5	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2552.4	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2658.2	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2642.1	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2653.4	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2508.7	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #18	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2675.1	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #18	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2644.1	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #19	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2539.0	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #19	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2619.9	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2581.8	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2553.1	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #20	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2682.1	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #20	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2652.1	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2600.4	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2542.9	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2594.9	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2557.1	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC(N)=O	2591.4	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC(N)=O	2502.0	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C	2486.4	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C	2467.0	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2541.8	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2522.5	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2582.4	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2503.7	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2512.0	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2407.8	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2591.3	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2510.5	Standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2482.1	Semi standard non polar	33892256
Asparaginylasparagine,3TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2470.1	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2624.6	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2630.9	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #10	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2649.7	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #10	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2621.7	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #11	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2515.8	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #11	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2543.1	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2666.5	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2544.5	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2584.6	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2569.4	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #14	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2688.6	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #14	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2709.5	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2577.7	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2673.7	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2685.2	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2705.7	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #17	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2706.0	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #17	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2749.8	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2773.0	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2703.1	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2633.7	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2627.2	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2633.6	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2574.7	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #20	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2668.1	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #20	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2648.8	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #21	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2779.2	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #21	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2711.5	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #22	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2630.1	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #22	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2637.5	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #23	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2663.9	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #23	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2654.9	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #24	C[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2788.0	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #24	C[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2714.5	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #25	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2630.2	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #25	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2684.0	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #26	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2623.2	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #26	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2688.0	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2509.8	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2539.2	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2653.7	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2607.3	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2650.8	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2616.6	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #6	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2523.1	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #6	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2593.6	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #7	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2651.4	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #7	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2622.7	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C	2587.6	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C	2572.2	Standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2623.7	Semi standard non polar	33892256
Asparaginylasparagine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2592.8	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2669.3	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2686.3	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #10	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2616.4	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #10	C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2679.4	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2770.2	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2711.2	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2622.2	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2635.3	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2674.1	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2656.7	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2766.7	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2765.0	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2820.3	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2803.2	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2649.4	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2738.1	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #17	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2652.8	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #17	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2740.7	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #18	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2690.3	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #18	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2764.3	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #19	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2815.0	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #19	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2801.6	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2683.7	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2728.5	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2802.2	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2742.4	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2805.8	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2744.3	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2766.5	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2770.2	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2539.7	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2662.7	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2659.8	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2689.6	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2784.0	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2699.3	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2619.4	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2635.8	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #7	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2676.1	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #7	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2650.9	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2787.6	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2702.0	Standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2619.7	Semi standard non polar	33892256
Asparaginylasparagine,5TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2677.5	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2766.4	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2759.7	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #10	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2955.8	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #10	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2874.6	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2782.2	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2821.4	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2814.9	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2841.6	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2818.5	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2844.7	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2641.2	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2740.6	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2791.6	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2797.2	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2798.2	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2800.7	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2691.5	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2763.4	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #6	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2638.2	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #6	C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2740.5	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2830.8	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2750.9	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2779.5	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2773.8	Standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2827.1	Semi standard non polar	33892256
Asparaginylasparagine,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2756.3	Standard non polar	33892256
Asparaginylasparagine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2960.4	Semi standard non polar	33892256
Asparaginylasparagine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2883.6	Standard non polar	33892256
Asparaginylasparagine,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2787.8	Semi standard non polar	33892256
Asparaginylasparagine,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2831.1	Standard non polar	33892256
Asparaginylasparagine,7TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2840.0	Semi standard non polar	33892256
Asparaginylasparagine,7TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2851.9	Standard non polar	33892256
Asparaginylasparagine,7TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2842.1	Semi standard non polar	33892256
Asparaginylasparagine,7TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2851.8	Standard non polar	33892256
Asparaginylasparagine,7TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2993.1	Semi standard non polar	33892256
Asparaginylasparagine,7TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2941.0	Standard non polar	33892256
Asparaginylasparagine,8TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3039.2	Semi standard non polar	33892256
Asparaginylasparagine,8TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2950.1	Standard non polar	33892256
Asparaginylasparagine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O	2667.1	Semi standard non polar	33892256
Asparaginylasparagine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O	2705.3	Semi standard non polar	33892256
Asparaginylasparagine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O	2760.2	Semi standard non polar	33892256
Asparaginylasparagine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O	2762.7	Semi standard non polar	33892256
Asparaginylasparagine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(N)=O)C(=O)O	2731.2	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2966.2	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2773.3	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3075.9	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2859.1	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3011.3	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2816.5	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3070.4	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2873.9	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C	3005.1	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C	2811.2	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2959.3	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2771.1	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2964.4	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2805.1	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C	2995.6	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C	2719.7	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	3013.1	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2877.6	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3015.6	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2885.9	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N([C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3078.5	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N([C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2848.4	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3007.4	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2768.7	Standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3079.0	Semi standard non polar	33892256
Asparaginylasparagine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2915.5	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3224.1	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3016.0	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3290.6	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3112.4	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	3302.5	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	3111.8	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3357.4	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3110.2	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3254.3	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3023.1	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3308.2	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3121.7	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3254.6	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3035.3	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3361.6	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3116.3	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3332.8	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3022.1	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3339.2	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3119.8	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3252.0	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3071.0	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3244.6	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3045.3	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3344.0	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3139.0	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3289.0	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3040.6	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3288.5	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3049.5	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CC(N)=O	3258.0	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CC(N)=O	3027.0	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C	3198.8	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C	2982.6	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3216.4	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3036.4	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3306.0	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3023.7	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3217.9	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2967.4	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3251.5	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3036.5	Standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3184.1	Semi standard non polar	33892256
Asparaginylasparagine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2996.9	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3485.9	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3225.7	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3564.0	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3257.7	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3429.7	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3188.9	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3553.7	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3215.5	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3496.5	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3231.1	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3575.6	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3311.4	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3461.6	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3236.6	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3570.3	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3307.6	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3624.4	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3321.0	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3635.6	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3327.6	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3537.4	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3255.9	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3510.7	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3240.3	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3575.2	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3261.2	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3643.2	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3330.2	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3534.1	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3265.4	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3573.4	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3264.3	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3621.1	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3343.1	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3526.7	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3278.7	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3520.6	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3289.3	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3429.2	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3188.9	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3572.2	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3242.1	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3527.2	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3251.0	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3414.6	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3218.2	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3534.5	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3264.9	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C	3503.3	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C	3232.6	Standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3498.5	Semi standard non polar	33892256
Asparaginylasparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3254.1	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3741.8	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3423.3	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3716.7	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3440.1	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3857.6	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3471.4	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3736.1	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3412.5	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3797.5	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3423.0	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3837.9	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3510.5	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3908.3	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3520.7	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3746.8	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3450.4	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3752.3	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3452.4	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3803.6	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3463.1	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3899.5	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3515.7	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3810.9	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3436.8	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3857.0	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3488.6	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3855.7	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3486.6	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3798.2	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3497.5	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3626.3	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3376.4	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3748.4	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3426.6	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3872.2	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3459.1	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3731.8	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3413.6	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3795.8	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3417.3	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3827.2	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3474.9	Standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3717.9	Semi standard non polar	33892256
Asparaginylasparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3431.0	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Asparaginylasparagine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Asparaginylasparagine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 10V, Positive-QTOF	splash10-001i-1190000000-695279204f0e5a7949f1	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 20V, Positive-QTOF	splash10-02hi-9660000000-19d3bc77740067fe637b	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 40V, Positive-QTOF	splash10-00du-9000000000-62ee04ffefa654ce1c30	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 10V, Negative-QTOF	splash10-002b-0190000000-f25455454bc4ae63c466	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 20V, Negative-QTOF	splash10-0036-6960000000-de563115a97b68becedd	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 40V, Negative-QTOF	splash10-0006-9300000000-fcc01e6af338c9555052	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 10V, Positive-QTOF	splash10-001j-0190000000-71706d5a73402c9d6a89	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 20V, Positive-QTOF	splash10-001i-3920000000-acd23afd0e4ab071579a	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 40V, Positive-QTOF	splash10-02g2-9300000000-1357fdefa178b4b01de4	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 10V, Negative-QTOF	splash10-0002-0190000000-483e265ba5555cd10fe6	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 20V, Negative-QTOF	splash10-01qi-4900000000-b65f057daf292efa377f	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginylasparagine 40V, Negative-QTOF	splash10-0006-9300000000-59777e06d7bbe482d5e7	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111783

KNApSAcK ID

Not Available

Chemspider ID

17279436

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16122514

PDB ID

Not Available

ChEBI ID

73406

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Broberg K, Hoglund M, Gustafsson C, Bjork J, Ingvar C, Albin M, Olsson H: Genetic variant of the human homologous recombination-associated gene RMI1 (S455N) impacts the risk of AML/MDS and malignant melanoma. Cancer Lett. 2007 Dec 8;258(1):38-44. Epub 2007 Sep 27. [PubMed:17900800 ]

Showing metabocard for Asparaginylasparagine (HMDB0028726)

MOL for HMDB0028726 (Asparaginylasparagine)

3D MOL for HMDB0028726 (Asparaginylasparagine)

3D SDF for HMDB0028726 (Asparaginylasparagine)

3D-SDF for HMDB0028726 (Asparaginylasparagine)

PDB for HMDB0028726 (Asparaginylasparagine)

3D PDB for HMDB0028726 (Asparaginylasparagine)

SMILES for HMDB0028726 (Asparaginylasparagine)

INCHI for HMDB0028726 (Asparaginylasparagine)

Structure for HMDB0028726 (Asparaginylasparagine)

3D Structure for HMDB0028726 (Asparaginylasparagine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra