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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:17 UTC

Update Date

2021-09-14 15:46:37 UTC

HMDB ID

HMDB0028736

Secondary Accession Numbers

HMDB28736

Metabolite Identification

Common Name

Asparaginyl-Lysine

Description

Asparaginyl-Lysine is a dipeptide composed of asparagine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.

Structure

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

HMDB0028736
     RDKit          3D
Asparaginyl-Lysine
 38 37  0  0  0  0  0  0  0  0999 V2000
    5.7441   -0.4152    0.5559 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741    0.2157    1.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569    0.7715    1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7439   -0.3134    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337    0.2325    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390   -0.8464   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522   -0.2957   -0.7913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372   -0.6823   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8898   -1.5149    0.7857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2474   -0.1248   -0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515    0.7956   -1.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9142    0.5277    0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2226    1.1048    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0193    1.7597    1.2462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6603    1.0255   -0.8988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1186   -1.6530   -1.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -1.7416   -2.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -2.3613   -1.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3556   -0.3908   -0.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498   -1.2624    0.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7746   -0.5400    2.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5743    1.0455    1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059    1.2970    1.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8609    1.5554    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -1.0909    1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -0.7486   -0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9079    0.6363    1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134    1.1026   -0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3691   -1.5649    0.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7646    0.3808   -1.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9260   -0.9412   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5246    0.5320   -2.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673    1.7811   -1.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0658   -0.2296    1.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2782    1.3199    1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9983    2.0011    1.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6442    2.0218    2.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907   -3.3898   -1.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  6 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  7 30  1  0
 10 31  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 12 35  1  0
 14 36  1  0
 14 37  1  0
 18 38  1  0
M  END


  Mrv1652304062013272D          

 18 17  0  0  0  0            999 V2000
    3.5211    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    4.0954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.0329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.0329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    4.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    4.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028736

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H20N4O4/c11-4-2-1-3-7(10(17)18)14-9(16)6(12)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)

> <INCHI_KEY>
QJMCHPGWFZZRID-UHFFFAOYSA-N

> <FORMULA>
C10H20N4O4

> <MOLECULAR_WEIGHT>
260.2902

> <EXACT_MASS>
260.148455148

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
26.764613395388995

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-amino-2-(2-amino-3-carbamoylpropanamido)hexanoic acid

> <ALOGPS_LOGP>
-3.51

> <JCHEM_LOGP>
-4.992198646165908

> <ALOGPS_LOGS>
-1.68

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.656344684897512

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.632964985073152

> <JCHEM_PKA_STRONGEST_BASIC>
10.205761630895102

> <JCHEM_POLAR_SURFACE_AREA>
161.53

> <JCHEM_REFRACTIVITY>
62.96450000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.44e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-amino-2-(2-amino-3-carbamoylpropanamido)hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028736
     RDKit          3D
Asparaginyl-Lysine
 38 37  0  0  0  0  0  0  0  0999 V2000
    5.7441   -0.4152    0.5559 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741    0.2157    1.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569    0.7715    1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7439   -0.3134    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337    0.2325    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390   -0.8464   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522   -0.2957   -0.7913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372   -0.6823   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8898   -1.5149    0.7857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2474   -0.1248   -0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515    0.7956   -1.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9142    0.5277    0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2226    1.1048    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0193    1.7597    1.2462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6603    1.0255   -0.8988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1186   -1.6530   -1.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -1.7416   -2.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -2.3613   -1.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3556   -0.3908   -0.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498   -1.2624    0.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7746   -0.5400    2.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5743    1.0455    1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059    1.2970    1.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8609    1.5554    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -1.0909    1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -0.7486   -0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9079    0.6363    1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134    1.1026   -0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3691   -1.5649    0.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7646    0.3808   -1.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9260   -0.9412   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5246    0.5320   -2.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673    1.7811   -1.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0658   -0.2296    1.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2782    1.3199    1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9983    2.0011    1.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6442    2.0218    2.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907   -3.3898   -1.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  6 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  7 30  1  0
 10 31  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 12 35  1  0
 14 36  1  0
 14 37  1  0
 18 38  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  N   UNK     0       6.573   5.335   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       7.906   6.105   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.574   6.105   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.907   5.335   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.241   6.105   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      14.575   5.335   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      15.908   6.105   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      15.908   7.645   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      17.242   5.335   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      17.242   3.795   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      18.576   6.105   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      19.909   5.335   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      21.243   6.105   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      19.909   3.795   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      13.241   7.645   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      14.575   8.415   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      11.907   8.415   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   16                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    6   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   34    0
END

COMPND    HMDB0028736
HETATM    1  N1  UNL     1       5.744  -0.415   0.556  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.974   0.216   1.578  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.657   0.772   1.145  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.744  -0.313   0.576  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.434   0.232   0.146  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.539  -0.846  -0.377  1.00  0.00           C  
HETATM    7  N2  UNL     1      -0.752  -0.296  -0.791  1.00  0.00           N  
HETATM    8  C6  UNL     1      -1.937  -0.682  -0.155  1.00  0.00           C  
HETATM    9  O1  UNL     1      -1.890  -1.515   0.786  1.00  0.00           O  
HETATM   10  C7  UNL     1      -3.247  -0.125  -0.574  1.00  0.00           C  
HETATM   11  N3  UNL     1      -3.052   0.796  -1.654  1.00  0.00           N  
HETATM   12  C8  UNL     1      -3.914   0.528   0.619  1.00  0.00           C  
HETATM   13  C9  UNL     1      -5.223   1.105   0.276  1.00  0.00           C  
HETATM   14  N4  UNL     1      -6.019   1.760   1.246  1.00  0.00           N  
HETATM   15  O2  UNL     1      -5.660   1.025  -0.899  1.00  0.00           O  
HETATM   16  C10 UNL     1       1.119  -1.653  -1.475  1.00  0.00           C  
HETATM   17  O3  UNL     1       0.548  -1.742  -2.610  1.00  0.00           O  
HETATM   18  O4  UNL     1       2.296  -2.361  -1.360  1.00  0.00           O  
HETATM   19  H1  UNL     1       5.356  -0.391  -0.389  1.00  0.00           H  
HETATM   20  H2  UNL     1       6.250  -1.262   0.833  1.00  0.00           H  
HETATM   21  H3  UNL     1       4.775  -0.540   2.370  1.00  0.00           H  
HETATM   22  H4  UNL     1       5.574   1.045   1.997  1.00  0.00           H  
HETATM   23  H5  UNL     1       3.206   1.297   1.995  1.00  0.00           H  
HETATM   24  H6  UNL     1       3.861   1.555   0.362  1.00  0.00           H  
HETATM   25  H7  UNL     1       2.652  -1.091   1.341  1.00  0.00           H  
HETATM   26  H8  UNL     1       3.355  -0.749  -0.264  1.00  0.00           H  
HETATM   27  H9  UNL     1       0.908   0.636   1.063  1.00  0.00           H  
HETATM   28  H10 UNL     1       1.513   1.103  -0.538  1.00  0.00           H  
HETATM   29  H11 UNL     1       0.369  -1.565   0.473  1.00  0.00           H  
HETATM   30  H12 UNL     1      -0.765   0.381  -1.560  1.00  0.00           H  
HETATM   31  H13 UNL     1      -3.926  -0.941  -0.922  1.00  0.00           H  
HETATM   32  H14 UNL     1      -3.525   0.532  -2.540  1.00  0.00           H  
HETATM   33  H15 UNL     1      -3.267   1.781  -1.349  1.00  0.00           H  
HETATM   34  H16 UNL     1      -4.066  -0.230   1.418  1.00  0.00           H  
HETATM   35  H17 UNL     1      -3.278   1.320   1.062  1.00  0.00           H  
HETATM   36  H18 UNL     1      -6.998   2.001   1.047  1.00  0.00           H  
HETATM   37  H19 UNL     1      -5.644   2.022   2.200  1.00  0.00           H  
HETATM   38  H20 UNL     1       2.291  -3.390  -1.424  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3   21   22
CONECT    3    4   23   24
CONECT    4    5   25   26
CONECT    5    6   27   28
CONECT    6    7   16   29
CONECT    7    8   30
CONECT    8    9    9   10
CONECT   10   11   12   31
CONECT   11   32   33
CONECT   12   13   34   35
CONECT   13   14   15   15
CONECT   14   36   37
CONECT   16   17   17   18
CONECT   18   38
END

HMDB0028736
     RDKit          3D
Asparaginyl-Lysine
 38 37  0  0  0  0  0  0  0  0999 V2000
    5.7441   -0.4152    0.5559 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9741    0.2157    1.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6569    0.7715    1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7439   -0.3134    0.5765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337    0.2325    0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5390   -0.8464   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7522   -0.2957   -0.7913 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9372   -0.6823   -0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8898   -1.5149    0.7857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2474   -0.1248   -0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0515    0.7956   -1.6538 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9142    0.5277    0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2226    1.1048    0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0193    1.7597    1.2462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6603    1.0255   -0.8988 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1186   -1.6530   -1.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483   -1.7416   -2.6103 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2962   -2.3613   -1.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3556   -0.3908   -0.3892 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498   -1.2624    0.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7746   -0.5400    2.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5743    1.0455    1.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2059    1.2970    1.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8609    1.5554    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520   -1.0909    1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3547   -0.7486   -0.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9079    0.6363    1.0634 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5134    1.1026   -0.5384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3691   -1.5649    0.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7646    0.3808   -1.5597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9260   -0.9412   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5246    0.5320   -2.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673    1.7811   -1.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0658   -0.2296    1.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2782    1.3199    1.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9983    2.0011    1.0471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6442    2.0218    2.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2907   -3.3898   -1.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  6 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  7 30  1  0
 10 31  1  0
 11 32  1  0
 11 33  1  0
 12 34  1  0
 12 35  1  0
 14 36  1  0
 14 37  1  0
 18 38  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Asn-lys	HMDB
Asparagine lysine dipeptide	HMDB
Asparagine-lysine dipeptide	HMDB
Asparaginyllysine	HMDB
L-Asparaginyl-L-lysine	HMDB
N-K Dipeptide	HMDB
NK Dipeptide	HMDB
6-Amino-2-{[2-amino-1-hydroxy-3-(C-hydroxycarbonimidoyl)propylidene]amino}hexanoate	HMDB

Chemical Formula

C₁₀H₂₀N₄O₄

Average Molecular Weight

260.2902

Monoisotopic Molecular Weight

260.148455148

IUPAC Name

6-amino-2-(2-amino-3-carbamoylpropanamido)hexanoic acid

Traditional Name

6-amino-2-(2-amino-3-carbamoylpropanamido)hexanoic acid

CAS Registry Number

Not Available

SMILES

NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O

InChI Identifier

InChI=1S/C10H20N4O4/c11-4-2-1-3-7(10(17)18)14-9(16)6(12)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)

InChI Key

QJMCHPGWFZZRID-UHFFFAOYSA-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
Alpha-amino acid amide
Alpha-amino acid or derivatives
Medium-chain fatty acid
Amino fatty acid
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Primary carboxylic acid amide
Monocarboxylic acid or derivatives
Carboxylic acid
Hydrocarbon derivative
Organic oxygen compound
Primary aliphatic amine
Organic oxide
Organic nitrogen compound
Carbonyl group
Organopnictogen compound
Amine
Organonitrogen compound
Organooxygen compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
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)

Equine

Horse (FooDB: FOOD00378)

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)

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	-5.08	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.44 g/L	ALOGPS
logP	-3.5	ALOGPS
logP	-5	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	3.63	ChemAxon
pKa (Strongest Basic)	10.21	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	161.53 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	62.96 m³·mol⁻¹	ChemAxon
Polarizability	26.76 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
DarkChem	[M+H]+	162.757	31661259
DarkChem	[M-H]-	158.202	31661259
DeepCCS	[M+H]+	162.811	30932474
DeepCCS	[M-H]-	159.542	30932474
DeepCCS	[M-2H]-	194.893	30932474
DeepCCS	[M+Na]+	171.183	30932474
AllCCS	[M+H]+	156.4	32859911
AllCCS	[M+H-H2O]+	153.3	32859911
AllCCS	[M+NH4]+	159.2	32859911
AllCCS	[M+Na]+	160.0	32859911
AllCCS	[M-H]-	159.1	32859911
AllCCS	[M+Na-2H]-	159.4	32859911
AllCCS	[M+HCOO]-	159.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Asparaginyl-Lysine	NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O	3211.5	Standard polar	33892256
Asparaginyl-Lysine	NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O	2243.1	Standard non polar	33892256
Asparaginyl-Lysine	NCCCCC(NC(=O)C(N)CC(N)=O)C(O)=O	2617.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Asparaginyl-Lysine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC(N)=O	2473.5	Semi standard non polar	33892256
Asparaginyl-Lysine,1TMS,isomer #2	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(N)=O)C(=O)O	2625.9	Semi standard non polar	33892256
Asparaginyl-Lysine,1TMS,isomer #3	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)O	2555.3	Semi standard non polar	33892256
Asparaginyl-Lysine,1TMS,isomer #4	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN)C(=O)O	2572.0	Semi standard non polar	33892256
Asparaginyl-Lysine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)C(N)CC(N)=O)C(CCCCN)C(=O)O	2484.8	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(N)=O)C(=O)O[Si](C)(C)C	2632.1	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(N)=O)C(=O)O[Si](C)(C)C	2468.2	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #10	C[Si](C)(C)N(C(CC(N)=O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	2697.9	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #10	C[Si](C)(C)N(C(CC(N)=O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	2555.8	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #11	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2549.5	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #11	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2459.1	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)CC(N)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	2676.5	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)CC(N)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C	2580.2	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #13	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2530.9	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #13	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2497.2	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #2	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2555.4	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #2	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2460.5	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #3	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2573.2	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #3	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2500.6	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C	2459.4	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C	2398.4	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #5	C[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N[Si](C)(C)C)C(=O)O	2713.7	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #5	C[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N[Si](C)(C)C)C(=O)O	2568.8	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #6	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N[Si](C)(C)C)C(=O)O	2733.9	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #6	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N[Si](C)(C)C)C(=O)O	2625.1	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #7	C[Si](C)(C)N(CCCCC(NC(=O)C(N)CC(N)=O)C(=O)O)[Si](C)(C)C	2782.4	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #7	C[Si](C)(C)N(CCCCC(NC(=O)C(N)CC(N)=O)C(=O)O)[Si](C)(C)C	2612.8	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #8	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C	2602.6	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #8	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C	2512.2	Standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #9	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O	2634.3	Semi standard non polar	33892256
Asparaginyl-Lysine,2TMS,isomer #9	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O	2617.9	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2677.9	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2573.6	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #10	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2785.6	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #10	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2714.9	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #11	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2839.7	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #11	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2678.7	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #12	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2659.0	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #12	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2613.9	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #13	C[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2863.9	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #13	C[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2687.5	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #14	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2857.0	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #14	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2741.3	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC(=O)N[Si](C)(C)C)[Si](C)(C)C	2652.8	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC(=O)N[Si](C)(C)C)[Si](C)(C)C	2646.2	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #16	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2804.0	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #16	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2705.5	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)C(N)CC(N)=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2750.2	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)C(N)CC(N)=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2639.9	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #18	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O	2705.3	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #18	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O	2683.2	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #19	C[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2764.7	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #19	C[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2724.1	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #2	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2700.6	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #2	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2612.1	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #20	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2579.4	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #20	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2631.2	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	2686.6	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	2580.0	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	2612.0	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	2603.4	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC(N)=O	2764.4	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC(N)=O	2600.9	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #4	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C	2580.0	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #4	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C	2548.1	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #5	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2615.8	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #5	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2625.1	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2712.0	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #6	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2591.9	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #7	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2526.5	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #7	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2517.1	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2653.4	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2599.1	Standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2518.4	Semi standard non polar	33892256
Asparaginyl-Lysine,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2545.8	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2727.1	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #1	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2712.7	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #10	C[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2732.0	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #10	C[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2740.5	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #11	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2545.5	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #11	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2657.9	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2708.3	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #12	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2644.4	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2601.4	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2655.4	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2859.3	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2794.0	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2674.2	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #15	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2741.7	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #16	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2804.6	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #16	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2791.3	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #17	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2871.3	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #17	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2826.6	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #18	C[Si](C)(C)N(CCCCC(NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2989.9	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #18	C[Si](C)(C)N(CCCCC(NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2800.3	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #19	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2795.4	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #19	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2706.7	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #2	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2802.8	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #2	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2669.5	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #20	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2794.9	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #20	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2723.9	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #21	C[Si](C)(C)N(CCCCC(NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2944.2	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #21	C[Si](C)(C)N(CCCCC(NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2813.8	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #22	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2793.6	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #22	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2746.4	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #23	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2712.4	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #23	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2745.5	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #24	C[Si](C)(C)N(C(=O)CC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2862.8	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #24	C[Si](C)(C)N(C(=O)CC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2802.6	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #25	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2666.3	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #25	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C	2722.3	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #26	C[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2719.1	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #26	C[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2743.8	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2592.9	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #3	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2633.2	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2812.2	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2700.1	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2812.9	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2717.6	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #6	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC(=O)N[Si](C)(C)C)[Si](C)(C)C	2601.3	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #6	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC(=O)N[Si](C)(C)C)[Si](C)(C)C	2663.8	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #7	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2743.7	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #7	C[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2709.4	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C	2733.8	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C	2660.1	Standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #9	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2679.7	Semi standard non polar	33892256
Asparaginyl-Lysine,4TMS,isomer #9	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C	2705.2	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #1	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2835.1	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #1	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2783.0	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #10	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2677.3	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #10	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2767.3	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #11	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2829.7	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #11	C[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2828.4	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #12	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2635.1	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #12	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2759.2	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #13	C[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2709.2	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #13	C[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2777.9	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #14	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2936.7	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #14	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2866.7	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #15	C[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3016.8	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #15	C[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2900.0	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #16	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2820.3	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #16	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2815.9	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #17	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2747.2	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #17	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2841.8	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #18	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2805.6	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #18	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2855.6	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #19	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2947.8	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #19	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2904.5	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #2	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2620.2	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #2	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2759.0	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #20	C[Si](C)(C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2976.7	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #20	C[Si](C)(C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2820.0	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2913.3	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2843.2	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	2834.8	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)O	2844.5	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #3	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2750.4	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #3	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2790.7	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2801.8	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #4	C[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2820.0	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2978.2	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2800.4	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #6	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2752.6	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #6	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2732.6	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2775.7	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #7	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2750.4	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2933.1	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2808.5	Standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #9	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2762.5	Semi standard non polar	33892256
Asparaginyl-Lysine,5TMS,isomer #9	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2762.1	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #1	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2926.9	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #1	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2868.2	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #10	C[Si](C)(C)N(CCCCC(NC(=O)C(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	3125.3	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #10	C[Si](C)(C)N(CCCCC(NC(=O)C(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	2980.3	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #11	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2934.2	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #11	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2921.3	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #12	C[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2987.7	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #12	C[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2932.7	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #13	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2902.6	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #13	C[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2952.0	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #2	C[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2977.4	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #2	C[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2898.9	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2783.9	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2843.0	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #4	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2720.0	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #4	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2858.1	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #5	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2790.7	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #5	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2871.6	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #6	C[Si](C)(C)NCCCCC(NC(=O)C(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	2890.6	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #6	C[Si](C)(C)NCCCCC(NC(=O)C(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	2904.9	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2974.4	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2855.3	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2906.5	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2867.4	Standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2838.0	Semi standard non polar	33892256
Asparaginyl-Lysine,6TMS,isomer #9	C[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2880.4	Standard non polar	33892256
Asparaginyl-Lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3115.4	Semi standard non polar	33892256
Asparaginyl-Lysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2988.3	Standard non polar	33892256
Asparaginyl-Lysine,7TMS,isomer #2	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2916.7	Semi standard non polar	33892256
Asparaginyl-Lysine,7TMS,isomer #2	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2943.2	Standard non polar	33892256
Asparaginyl-Lysine,7TMS,isomer #3	C[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN([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	2989.9	Semi standard non polar	33892256
Asparaginyl-Lysine,7TMS,isomer #3	C[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN([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	2956.7	Standard non polar	33892256
Asparaginyl-Lysine,7TMS,isomer #4	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2917.0	Semi standard non polar	33892256
Asparaginyl-Lysine,7TMS,isomer #4	C[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2970.8	Standard non polar	33892256
Asparaginyl-Lysine,7TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3140.1	Semi standard non polar	33892256
Asparaginyl-Lysine,7TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3038.5	Standard non polar	33892256
Asparaginyl-Lysine,8TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3156.5	Semi standard non polar	33892256
Asparaginyl-Lysine,8TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3062.3	Standard non polar	33892256
Asparaginyl-Lysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC(N)=O	2756.5	Semi standard non polar	33892256
Asparaginyl-Lysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC(N)=O)C(=O)O	2899.0	Semi standard non polar	33892256
Asparaginyl-Lysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)O	2805.5	Semi standard non polar	33892256
Asparaginyl-Lysine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN)C(=O)O	2851.7	Semi standard non polar	33892256
Asparaginyl-Lysine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC(N)=O)C(CCCCN)C(=O)O	2758.9	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3150.8	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2870.2	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(CC(N)=O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3164.0	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(CC(N)=O)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2911.9	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3049.4	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2841.3	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CC(N)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3153.3	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CC(N)C(=O)NC(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2942.9	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3054.2	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2856.7	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3056.5	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2849.5	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3086.9	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2876.3	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C	2982.5	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C	2790.0	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3225.5	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2947.5	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3255.7	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2976.9	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(N)CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3246.2	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(N)CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2950.7	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C	3144.4	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C	2888.6	Standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O	3140.1	Semi standard non polar	33892256
Asparaginyl-Lysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O	2966.4	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3388.6	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3111.9	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3495.2	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3175.2	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3518.1	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3196.5	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3400.7	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3110.6	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3549.9	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3189.8	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3547.6	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3217.9	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3397.9	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(N)CC(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3128.3	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3532.4	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3205.5	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC(N)=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3423.1	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC(N)=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3121.2	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O	3435.2	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O	3176.9	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3472.4	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3173.4	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3400.9	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(N)CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3131.8	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3309.9	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3102.2	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	3353.8	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	3088.7	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	3306.8	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN)C(=O)O	3100.2	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC(N)=O	3470.1	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC(N)=O	3126.9	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C	3329.3	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C	3085.6	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3335.7	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3116.5	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3412.7	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3102.4	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3266.0	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3060.2	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3374.6	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3116.1	Standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3258.9	Semi standard non polar	33892256
Asparaginyl-Lysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3065.0	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[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	3625.9	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(CC(=O)N[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	3308.3	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN)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	3677.9	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN)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	3332.4	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3486.8	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3287.3	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(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	3580.4	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(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	3308.5	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(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	3517.9	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)N(C(=O)C(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	3309.2	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3780.2	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3391.2	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(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	3607.9	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(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	3312.0	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3761.0	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3394.5	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3803.7	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3396.7	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(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	3832.7	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(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	3419.2	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3680.1	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3346.1	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3714.1	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3341.1	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(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	3701.5	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(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	3351.6	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(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	3801.0	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CCCCC(NC(=O)C(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	3436.4	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3665.1	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3343.2	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(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	3651.6	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(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	3352.9	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)CC(C(=O)NC(CCCCN)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	3731.2	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)CC(C(=O)NC(CCCCN)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	3404.5	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3571.3	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3353.8	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN)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	3618.7	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN)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	3344.0	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3565.3	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3296.7	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3745.3	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3345.1	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3729.7	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3354.0	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3549.1	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3301.3	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3690.9	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3348.5	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C	3635.1	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C	3327.5	Standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3614.7	Semi standard non polar	33892256
Asparaginyl-Lysine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3333.5	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3948.8	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3509.9	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(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	3837.1	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(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	3524.3	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(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	3934.9	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN)NC(=O)C(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	3556.2	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3753.3	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3524.3	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN)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	3810.4	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)N(C(CCCCN)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	3526.3	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4023.1	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3601.5	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN([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	4087.1	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(CCCCN([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	3601.2	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3901.0	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3526.5	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(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	3871.9	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(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	3547.2	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(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	3933.4	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O)N(C(=O)C(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	3551.6	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	4056.7	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3615.3	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(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	3753.1	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(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	3474.5	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3992.4	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3569.3	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3936.2	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3566.9	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)C(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(CCCCN)C(=O)O	3893.1	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)C(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(CCCCN)C(=O)O	3583.8	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3902.9	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3519.0	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3972.3	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCCC(NC(=O)C(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	3529.6	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4046.9	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3556.2	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN([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	3881.3	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(CCCCN([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	3509.3	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(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	3905.6	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCCC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(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	3522.9	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4007.3	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3568.0	Standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN([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	3864.5	Semi standard non polar	33892256
Asparaginyl-Lysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(CCCCN([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	3513.8	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Asparaginyl-Lysine GC-MS (Non-derivatized) - 70eV, Positive	splash10-000i-9110000000-6e53a1f108026a0b87e8	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Asparaginyl-Lysine GC-MS (1 TMS) - 70eV, Positive	splash10-000i-9310000000-af9e1ef8769620dfe631	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Asparaginyl-Lysine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Asparaginyl-Lysine 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 - Asparaginyl-Lysine 10V, Positive-QTOF	splash10-0006-2190000000-ab39aa19cdcd408f8510	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 20V, Positive-QTOF	splash10-00g1-9650000000-26900e363696dbc32abd	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 40V, Positive-QTOF	splash10-0076-9100000000-8a84b581d6ddb095126c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 10V, Negative-QTOF	splash10-0a4i-0190000000-c8f125c23d91a863c6ab	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 20V, Negative-QTOF	splash10-0007-5970000000-473bc45e4289e6226004	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 40V, Negative-QTOF	splash10-0006-9500000000-be5a8e71232bcb7ecf2f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 10V, Positive-QTOF	splash10-03dl-0190000000-7d75ae2c227c53b3dafb	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 20V, Positive-QTOF	splash10-029f-5490000000-b61d234c8c9a6175b369	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 40V, Positive-QTOF	splash10-06dj-9400000000-89e58f946260ee27518e	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 10V, Negative-QTOF	splash10-0a4i-0090000000-fdc56dc4918877475a4f	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 20V, Negative-QTOF	splash10-052e-6950000000-a4e1b2427ea301b86b07	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Lysine 40V, Negative-QTOF	splash10-0006-9300000000-70c592c03aa707282531	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 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
Predicted 1D NMR	¹³C 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

FDB111793

KNApSAcK ID

Not Available

Chemspider ID

15494626

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21451266

PDB ID

Not Available

ChEBI ID

174429

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

Not Available

Showing metabocard for Asparaginyl-Lysine (HMDB0028736)

MOL for HMDB0028736 (Asparaginyl-Lysine)

3D MOL for HMDB0028736 (Asparaginyl-Lysine)

3D SDF for HMDB0028736 (Asparaginyl-Lysine)

3D-SDF for HMDB0028736 (Asparaginyl-Lysine)

PDB for HMDB0028736 (Asparaginyl-Lysine)

3D PDB for HMDB0028736 (Asparaginyl-Lysine)

SMILES for HMDB0028736 (Asparaginyl-Lysine)

INCHI for HMDB0028736 (Asparaginyl-Lysine)

Structure for HMDB0028736 (Asparaginyl-Lysine)

3D Structure for HMDB0028736 (Asparaginyl-Lysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra