Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:05 UTC

Update Date

2021-09-14 15:47:05 UTC

HMDB ID

HMDB0028946

Secondary Accession Numbers

HMDB28946

Metabolite Identification

Common Name

Lysylasparagine

Description

Lysylasparagine is a dipeptide composed of lysine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Structure

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

HMDB0028946
     RDKit          3D
Lysylasparagine
 38 37  0  0  0  0  0  0  0  0999 V2000
   -4.8846    1.7527   -0.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9407    0.6475    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7029   -0.2562    0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5226    0.5961    0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -0.0738    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -0.6973   -0.6191 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6642   -1.7224   -1.0876 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672   -1.2614   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7491   -2.4830   -0.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603   -0.4712    0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -0.9578    0.2163 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9507   -0.3098   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9315    1.1568   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798    1.9922   -1.7539 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345    1.6867    0.5293 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214   -0.6812    1.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6611   -0.0935    2.4227 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7033   -1.0920    2.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2849    2.5096   -0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5035    1.3892   -1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0336    0.9864    1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8770    0.0730    0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521   -0.5116   -0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8771   -1.1063    1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6651    0.9917    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5409    1.4910    0.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647   -0.8124    1.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326    0.7335    0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164    0.0736   -1.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4492   -2.6706   -0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -1.6844   -2.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882    0.5618    0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202   -2.0600    0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9624   -0.7397   -0.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -0.5545   -1.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206    2.8649   -1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223    1.6968   -2.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423   -0.9644    3.0048 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
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 11 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  6
  7 30  1  0
  7 31  1  0
 10 32  1  0
 11 33  1  6
 12 34  1  0
 12 35  1  0
 14 36  1  0
 14 37  1  0
 18 38  1  0
M  END

      
  Mrv1652304062013572D          

 18 17  0  0  0  0            999 V2000
10001.807410000.0195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.0931 9999.6070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.378610000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6633 9999.6070    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.949310000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2353 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.519210000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.8050 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.089010000.0195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6633 9998.7821    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.378610000.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.093110001.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.522010001.2578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.807410000.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.236410000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.5220 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.236310000.8445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.9508 9999.6070    0.0000 N   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
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  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  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
  1 14  1  6  0  0  0
 16 15  1  0  0  0  0
  1 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028946

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H20N4O4/c11-4-2-1-3-6(12)9(16)14-7(10(17)18)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)/t6-,7-/m0/s1

> <INCHI_KEY>
JPNRPAJITHRXRH-BQBZGAKWSA-N

> <FORMULA>
C10H20N4O4

> <MOLECULAR_WEIGHT>
260.294

> <EXACT_MASS>
260.14845514

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
38

> <JCHEM_AVERAGE_POLARIZABILITY>
26.42139476902117

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanoic acid

> <ALOGPS_LOGP>
-3.46

> <JCHEM_LOGP>
-5.081557308854855

> <ALOGPS_LOGS>
-1.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.362821561434476

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4971283432981726

> <JCHEM_PKA_STRONGEST_BASIC>
10.212288269218288

> <JCHEM_POLAR_SURFACE_AREA>
161.53

> <JCHEM_REFRACTIVITY>
62.9645

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.26e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028946
     RDKit          3D
Lysylasparagine
 38 37  0  0  0  0  0  0  0  0999 V2000
   -4.8846    1.7527   -0.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9407    0.6475    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7029   -0.2562    0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5226    0.5961    0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -0.0738    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -0.6973   -0.6191 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6642   -1.7224   -1.0876 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672   -1.2614   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7491   -2.4830   -0.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603   -0.4712    0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -0.9578    0.2163 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9507   -0.3098   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9315    1.1568   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798    1.9922   -1.7539 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345    1.6867    0.5293 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214   -0.6812    1.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6611   -0.0935    2.4227 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7033   -1.0920    2.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2849    2.5096   -0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5035    1.3892   -1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0336    0.9864    1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8770    0.0730    0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521   -0.5116   -0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8771   -1.1063    1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6651    0.9917    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5409    1.4910    0.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647   -0.8124    1.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326    0.7335    0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164    0.0736   -1.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4492   -2.6706   -0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -1.6844   -2.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882    0.5618    0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202   -2.0600    0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9624   -0.7397   -0.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -0.5545   -1.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206    2.8649   -1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223    1.6968   -2.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423   -0.9644    3.0048 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
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 11 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  6
  7 30  1  0
  7 31  1  0
 10 32  1  0
 11 33  1  6
 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    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    8670.0408666.703   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    8668.7078665.933   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    8667.3738666.703   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8666.0388665.933   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8664.7058666.703   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8663.3738665.933   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8662.0368666.703   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8660.7038665.933   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    8659.3668666.703   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0    8666.0388664.393   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0    8667.3738668.244   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8668.7078669.015   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8671.3748669.015   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8670.0408668.244   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8672.7088666.703   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8671.3748665.933   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0    8672.7088668.243   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0    8674.0418665.933   0.000  0.00  0.00           N+0
CONECT    1    2   14   16                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    4                                                            
CONECT   11    3                                                            
CONECT   12   14                                                            
CONECT   13   14                                                            
CONECT   14   12   13    1                                                  
CONECT   15   16   18   17                                                  
CONECT   16   15    1                                                       
CONECT   17   15                                                            
CONECT   18   15                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   34    0
END

COMPND    HMDB0028946
HETATM    1  N1  UNL     1      -4.885   1.753  -0.407  1.00  0.00           N  
HETATM    2  C1  UNL     1      -4.941   0.648   0.510  1.00  0.00           C  
HETATM    3  C2  UNL     1      -3.703  -0.256   0.401  1.00  0.00           C  
HETATM    4  C3  UNL     1      -2.523   0.596   0.711  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.189  -0.074   0.684  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.792  -0.697  -0.619  1.00  0.00           C  
HETATM    7  N2  UNL     1      -1.664  -1.722  -1.088  1.00  0.00           N  
HETATM    8  C6  UNL     1       0.567  -1.261  -0.421  1.00  0.00           C  
HETATM    9  O1  UNL     1       0.749  -2.483  -0.640  1.00  0.00           O  
HETATM   10  N3  UNL     1       1.660  -0.471   0.005  1.00  0.00           N  
HETATM   11  C7  UNL     1       3.006  -0.958   0.216  1.00  0.00           C  
HETATM   12  C8  UNL     1       3.951  -0.310  -0.790  1.00  0.00           C  
HETATM   13  C9  UNL     1       3.931   1.157  -0.617  1.00  0.00           C  
HETATM   14  N4  UNL     1       3.680   1.992  -1.754  1.00  0.00           N  
HETATM   15  O2  UNL     1       4.134   1.687   0.529  1.00  0.00           O  
HETATM   16  C10 UNL     1       3.421  -0.681   1.610  1.00  0.00           C  
HETATM   17  O3  UNL     1       2.661  -0.094   2.423  1.00  0.00           O  
HETATM   18  O4  UNL     1       4.703  -1.092   2.020  1.00  0.00           O  
HETATM   19  H1  UNL     1      -4.285   2.510  -0.052  1.00  0.00           H  
HETATM   20  H2  UNL     1      -4.504   1.389  -1.319  1.00  0.00           H  
HETATM   21  H3  UNL     1      -5.034   0.986   1.569  1.00  0.00           H  
HETATM   22  H4  UNL     1      -5.877   0.073   0.286  1.00  0.00           H  
HETATM   23  H5  UNL     1      -3.652  -0.512  -0.679  1.00  0.00           H  
HETATM   24  H6  UNL     1      -3.877  -1.106   1.058  1.00  0.00           H  
HETATM   25  H7  UNL     1      -2.665   0.992   1.754  1.00  0.00           H  
HETATM   26  H8  UNL     1      -2.541   1.491   0.060  1.00  0.00           H  
HETATM   27  H9  UNL     1      -1.065  -0.812   1.504  1.00  0.00           H  
HETATM   28  H10 UNL     1      -0.433   0.733   0.889  1.00  0.00           H  
HETATM   29  H11 UNL     1      -0.716   0.074  -1.431  1.00  0.00           H  
HETATM   30  H12 UNL     1      -1.449  -2.671  -0.728  1.00  0.00           H  
HETATM   31  H13 UNL     1      -1.836  -1.684  -2.112  1.00  0.00           H  
HETATM   32  H14 UNL     1       1.488   0.562   0.183  1.00  0.00           H  
HETATM   33  H15 UNL     1       3.020  -2.060   0.043  1.00  0.00           H  
HETATM   34  H16 UNL     1       4.962  -0.740  -0.638  1.00  0.00           H  
HETATM   35  H17 UNL     1       3.608  -0.555  -1.816  1.00  0.00           H  
HETATM   36  H18 UNL     1       4.221   2.865  -1.912  1.00  0.00           H  
HETATM   37  H19 UNL     1       2.922   1.697  -2.438  1.00  0.00           H  
HETATM   38  H20 UNL     1       4.942  -0.964   3.005  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    8   29
CONECT    7   30   31
CONECT    8    9    9   10
CONECT   10   11   32
CONECT   11   12   16   33
CONECT   12   13   34   35
CONECT   13   14   15   15
CONECT   14   36   37
CONECT   16   17   17   18
CONECT   18   38
END

HMDB0028946
     RDKit          3D
Lysylasparagine
 38 37  0  0  0  0  0  0  0  0999 V2000
   -4.8846    1.7527   -0.4070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9407    0.6475    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7029   -0.2562    0.4014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5226    0.5961    0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1890   -0.0738    0.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -0.6973   -0.6191 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6642   -1.7224   -1.0876 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5672   -1.2614   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7491   -2.4830   -0.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603   -0.4712    0.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0063   -0.9578    0.2163 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9507   -0.3098   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9315    1.1568   -0.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798    1.9922   -1.7539 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345    1.6867    0.5293 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4214   -0.6812    1.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6611   -0.0935    2.4227 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7033   -1.0920    2.0200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2849    2.5096   -0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5035    1.3892   -1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0336    0.9864    1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8770    0.0730    0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521   -0.5116   -0.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8771   -1.1063    1.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6651    0.9917    1.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5409    1.4910    0.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647   -0.8124    1.5045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4326    0.7335    0.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7164    0.0736   -1.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4492   -2.6706   -0.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -1.6844   -2.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4882    0.5618    0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0202   -2.0600    0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9624   -0.7397   -0.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -0.5545   -1.8165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2206    2.8649   -1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223    1.6968   -2.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423   -0.9644    3.0048 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
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 11 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  6
  7 30  1  0
  7 31  1  0
 10 32  1  0
 11 33  1  6
 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
K-N Dipeptide	HMDB
KN Dipeptide	HMDB
L-Lys-L-asn	HMDB
L-Lysyl-L-asparagine	HMDB
Lys-asn	HMDB
Lysine asparagine dipeptide	HMDB
Lysine-asparagine dipeptide	HMDB
Lysyl-asparagine	HMDB
N2-L-Lysyl-L-asparagine	HMDB
N2-Lysylasparagine	HMDB
Lysylasparagine	HMDB

Chemical Formula

C₁₀H₂₀N₄O₄

Average Molecular Weight

260.294

Monoisotopic Molecular Weight

260.14845514

IUPAC Name

(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanoic acid

Traditional Name

(2S)-3-carbamoyl-2-[(2S)-2,6-diaminohexanamido]propanoic acid

CAS Registry Number

19908-06-6

SMILES

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

InChI Identifier

InChI=1S/C10H20N4O4/c11-4-2-1-3-6(12)9(16)14-7(10(17)18)5-8(13)15/h6-7H,1-5,11-12H2,(H2,13,15)(H,14,16)(H,17,18)/t6-,7-/m0/s1

InChI Key

JPNRPAJITHRXRH-BQBZGAKWSA-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-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Fatty acyl
Fatty acid
Fatty amide
N-acyl-amine
Amino acid or derivatives
Amino acid
Carboxamide group
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Carbonyl group
Organic oxide
Amine
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
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	-4.99	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.26 g/L	ALOGPS
logP	-3.5	ALOGPS
logP	-5.1	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	3.5	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	26.42 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	167.155	30932474
DeepCCS	[M-H]-	164.797	30932474
DeepCCS	[M-2H]-	197.683	30932474
DeepCCS	[M+Na]+	173.248	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lysylasparagine	NCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O	3246.6	Standard polar	33892256
Lysylasparagine	NCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O	2441.6	Standard non polar	33892256
Lysylasparagine	NCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(O)=O	2634.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lysylasparagine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN	2471.5	Semi standard non polar	33892256
Lysylasparagine,1TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O	2642.6	Semi standard non polar	33892256
Lysylasparagine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O	2550.1	Semi standard non polar	33892256
Lysylasparagine,1TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2567.3	Semi standard non polar	33892256
Lysylasparagine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC(N)=O)C(=O)O	2480.7	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C	2562.2	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C	2481.2	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #10	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2666.4	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #10	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2532.4	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2550.6	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2453.0	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C	2659.4	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C	2573.7	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2534.1	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2519.4	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2545.6	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2450.9	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2618.2	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2481.5	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2480.8	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2372.1	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2686.7	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2573.1	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O	2702.7	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O	2632.2	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #7	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2773.9	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #7	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2598.3	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2606.5	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2520.6	Standard non polar	33892256
Lysylasparagine,2TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O	2617.2	Semi standard non polar	33892256
Lysylasparagine,2TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O	2613.8	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2634.5	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2612.9	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O	2758.2	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O	2751.9	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2818.2	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2678.6	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2807.6	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2689.7	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2653.7	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2621.9	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #14	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2837.6	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #14	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2737.2	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2626.6	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2695.5	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2800.2	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2712.7	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2746.4	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2621.3	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2714.6	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2697.0	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #19	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2585.7	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #19	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2641.7	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2708.2	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2619.5	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #20	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2723.0	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #20	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2724.1	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2681.1	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2586.7	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2611.4	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2624.0	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN	2658.7	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN	2591.7	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2528.7	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2550.7	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2682.8	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2604.6	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2669.9	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2584.9	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2540.7	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2502.8	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2762.1	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2600.9	Standard non polar	33892256
Lysylasparagine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2587.0	Semi standard non polar	33892256
Lysylasparagine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2544.8	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2747.5	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2741.9	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2774.6	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2713.9	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2613.5	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2643.7	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2714.3	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2640.3	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2739.0	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2654.6	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #14	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2864.2	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #14	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2811.7	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2819.3	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2839.8	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2668.0	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2783.4	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #17	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2825.2	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #17	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2813.9	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #18	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2950.9	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #18	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2794.6	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2794.9	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2706.4	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2693.9	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2702.2	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #20	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2774.1	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #20	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2724.2	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #21	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2939.8	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #21	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2811.1	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #22	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2779.5	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #22	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2771.3	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #23	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2701.6	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #23	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2774.3	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #24	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2825.6	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #24	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2807.2	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2683.3	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2735.3	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #26	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2709.8	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #26	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2745.9	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2557.3	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2661.6	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2699.1	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2728.3	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2824.0	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2718.1	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2608.1	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2692.3	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2769.1	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2714.9	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2611.9	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2665.8	Standard non polar	33892256
Lysylasparagine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2813.7	Semi standard non polar	33892256
Lysylasparagine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2690.8	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2846.5	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2799.1	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2683.1	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2784.5	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2943.9	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2807.5	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2778.1	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2736.4	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2782.5	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2752.5	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2962.7	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2874.5	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2813.2	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2840.0	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2971.4	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2898.6	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #17	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2780.5	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #17	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2864.1	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2915.7	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2909.5	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #19	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2751.7	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #19	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2854.9	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2776.7	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2834.7	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2956.0	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2824.1	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2905.8	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2860.6	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2821.8	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2848.8	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2640.4	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2785.1	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2764.4	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2809.0	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2814.7	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2822.3	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2655.8	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2757.3	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #7	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2713.5	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #7	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2772.9	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2938.3	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2812.2	Standard non polar	33892256
Lysylasparagine,5TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2766.4	Semi standard non polar	33892256
Lysylasparagine,5TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2781.2	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2959.2	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2870.8	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #10	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3109.4	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #10	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2971.7	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2950.9	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2921.7	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2983.0	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2931.3	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2895.7	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2945.3	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2799.6	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2852.6	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2951.6	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2896.8	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2792.2	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2871.7	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2884.5	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2907.3	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2732.6	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2859.2	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2856.1	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2869.8	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2916.5	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2877.8	Standard non polar	33892256
Lysylasparagine,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2977.8	Semi standard non polar	33892256
Lysylasparagine,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2846.0	Standard non polar	33892256
Lysylasparagine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3115.8	Semi standard non polar	33892256
Lysylasparagine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2976.4	Standard non polar	33892256
Lysylasparagine,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2948.0	Semi standard non polar	33892256
Lysylasparagine,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2935.3	Standard non polar	33892256
Lysylasparagine,7TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3006.6	Semi standard non polar	33892256
Lysylasparagine,7TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2944.1	Standard non polar	33892256
Lysylasparagine,7TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2937.6	Semi standard non polar	33892256
Lysylasparagine,7TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2954.1	Standard non polar	33892256
Lysylasparagine,7TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3145.1	Semi standard non polar	33892256
Lysylasparagine,7TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3021.8	Standard non polar	33892256
Lysylasparagine,8TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3189.0	Semi standard non polar	33892256
Lysylasparagine,8TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3037.7	Standard non polar	33892256
Lysylasparagine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN	2739.0	Semi standard non polar	33892256
Lysylasparagine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O	2870.1	Semi standard non polar	33892256
Lysylasparagine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O	2796.3	Semi standard non polar	33892256
Lysylasparagine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2831.4	Semi standard non polar	33892256
Lysylasparagine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC(N)=O)C(=O)O	2760.3	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3087.7	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2849.7	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3144.0	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2900.6	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3065.0	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2832.0	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3145.2	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2932.5	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3048.5	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2880.9	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3047.8	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2849.8	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3112.4	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2877.5	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3004.5	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2786.7	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	3188.0	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2963.7	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3208.1	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2962.0	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3243.2	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2932.5	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3120.8	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2881.8	Standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)C(=O)O	3110.3	Semi standard non polar	33892256
Lysylasparagine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)C(=O)O	2958.2	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3322.2	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3106.4	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3466.7	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3188.4	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	3510.8	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	3200.3	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3527.8	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3197.1	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3401.7	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3121.2	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3531.5	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3203.3	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3375.5	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3151.9	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3531.9	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3203.6	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3433.2	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3125.3	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3426.6	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3181.5	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3313.4	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3110.3	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3395.4	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3121.6	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3435.9	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3175.2	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3365.4	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3091.8	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3322.6	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3124.6	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN	3372.6	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN	3099.8	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3271.2	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3068.5	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3372.9	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3145.9	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3375.9	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3092.2	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3293.1	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3051.5	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3454.8	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3127.6	Standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3328.7	Semi standard non polar	33892256
Lysylasparagine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3089.5	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3628.0	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3315.6	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3722.3	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3349.2	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3583.7	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3293.8	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3602.5	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3297.8	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3658.5	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3319.0	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([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	3768.2	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([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	3396.1	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N[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	3778.6	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N[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	3396.5	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3616.0	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3325.4	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3760.6	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3403.0	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3807.3	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3407.5	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3706.9	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3342.7	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3623.1	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3326.5	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3708.2	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3349.6	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3801.0	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3430.1	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3670.2	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3364.5	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3657.1	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3377.1	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CCCCN)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	3717.7	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CCCCN)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	3401.6	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3599.6	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3348.6	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3617.4	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3342.0	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3509.2	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3280.8	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)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	3647.4	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN)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	3321.3	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)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	3722.8	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)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	3336.2	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3549.2	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3307.5	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3693.3	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3343.0	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3545.0	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3315.3	Standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3705.7	Semi standard non polar	33892256
Lysylasparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3346.7	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([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	3958.7	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([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	3506.6	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3846.6	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3527.6	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN([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	4018.5	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN([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	3540.6	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3926.8	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3493.3	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3930.5	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3506.7	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4041.2	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3594.0	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([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	3928.2	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([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	3525.8	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([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	4062.2	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCCCN([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	3573.9	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3936.8	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3540.5	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4058.4	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3598.6	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3896.6	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3540.1	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3961.9	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3516.7	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3993.4	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3556.6	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3950.4	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3580.3	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3894.3	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3566.6	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3763.6	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3472.0	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3910.8	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3520.7	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3932.8	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3541.0	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3779.3	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3502.4	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3829.0	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3500.6	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4003.8	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3552.7	Standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3887.4	Semi standard non polar	33892256
Lysylasparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3511.0	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Lysylasparagine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lysylasparagine 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 - Lysylasparagine 10V, Positive-QTOF	splash10-03di-0290000000-80b1bd9034508d9a6969	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylasparagine 20V, Positive-QTOF	splash10-03yr-3930000000-24d7ba7c48fa56f1fd3f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylasparagine 40V, Positive-QTOF	splash10-0a4i-9200000000-2dd20952d13fa7f7b5a3	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylasparagine 10V, Negative-QTOF	splash10-0a4l-0090000000-c5142cd789b8f49a0509	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylasparagine 20V, Negative-QTOF	splash10-001i-5910000000-ab59894d1304c15c9f5c	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysylasparagine 40V, Negative-QTOF	splash10-0006-9100000000-5aa5e118a919f897ce37	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	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

FDB111969

KNApSAcK ID

Not Available

Chemspider ID

9394210

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11219156

PDB ID

Not Available

ChEBI ID

157869

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

Popova TV, Reinbolt J, Ehresmann B, Shakirov MM, Serebriakova MV, Gerassimova YV, Knorre DG, Godovikova TS: Why do p-nitro-substituted aryl azides provide unintended dark reactions with proteins? J Photochem Photobiol B. 2010 Jul 2;100(1):19-29. doi: 10.1016/j.jphotobiol.2010.04.004. Epub 2010 Apr 14. [PubMed:20570168 ]

Showing metabocard for Lysylasparagine (HMDB0028946)

MOL for HMDB0028946 (Lysylasparagine)

3D MOL for HMDB0028946 (Lysylasparagine)

3D SDF for HMDB0028946 (Lysylasparagine)

3D-SDF for HMDB0028946 (Lysylasparagine)

PDB for HMDB0028946 (Lysylasparagine)

3D PDB for HMDB0028946 (Lysylasparagine)

SMILES for HMDB0028946 (Lysylasparagine)

INCHI for HMDB0028946 (Lysylasparagine)

Structure for HMDB0028946 (Lysylasparagine)

3D Structure for HMDB0028946 (Lysylasparagine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra