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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:07 UTC

Update Date

2021-09-14 15:47:05 UTC

HMDB ID

HMDB0028956

Secondary Accession Numbers

HMDB28956

Metabolite Identification

Common Name

Lysyllysine

Description

Lysyllysine, also known as L-lys-L-lys or dilysine, belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Lysyllysine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make lysyllysine a potential biomarker for the consumption of these foods. Lysyllysine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Lysyllysine.

Structure

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

HMDB0028956
     RDKit          3D
Lysyllysine
 45 44  0  0  0  0  0  0  0  0999 V2000
   -5.7823    0.9059   -1.4274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4141   -0.4290   -1.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9105   -0.5104    0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7008    0.3321    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5243   -0.0446   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3894    0.9153    0.1335 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8858    2.2476   -0.1474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718    0.6381   -0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2810    1.5220   -1.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5249   -0.5956   -0.5496 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7140   -0.8656   -1.2999 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8974   -1.1918   -0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284   -0.0688    0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059   -0.4578    1.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7964    0.6393    2.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1549    1.8573    1.6392 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153   -2.0195   -2.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -2.6269   -2.3124 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -2.4332   -3.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1347    1.2900   -2.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7699    1.0089   -1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7148   -0.8350   -1.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3386   -1.0517   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7255   -0.1108    1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7601   -1.5601    0.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3843    0.1492    1.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9429    1.4065    0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407   -1.0549   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7179   -0.0103   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963    0.8175    1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4918    2.9644    0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7102    2.4668   -1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1596   -1.3388    0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593    0.0223   -1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6551   -2.0836    0.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7753   -1.4501   -1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460    0.1217    1.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    0.8535   -0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2849   -0.7337    0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386   -1.3469    1.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9739    0.8750    3.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6717    0.3195    2.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039    2.3394    2.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5343    1.6453    0.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904   -2.5185   -2.7386 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
 14 15  1  0
 15 16  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  1
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 16 43  1  0
 16 44  1  0
 19 45  1  0
M  END

      
  Mrv1652304062013592D          

 19 18  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
10003.9508 9999.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.665310000.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.3798 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 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028956

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C12H26N4O3/c13-7-3-1-5-9(15)11(17)16-10(12(18)19)6-2-4-8-14/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)/t9-,10-/m0/s1

> <INCHI_KEY>
NVGBPTNZLWRQSY-UWVGGRQHSA-N

> <FORMULA>
C12H26N4O3

> <MOLECULAR_WEIGHT>
274.365

> <EXACT_MASS>
274.200490713

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
30.60458913795535

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanoic acid

> <ALOGPS_LOGP>
-3.12

> <JCHEM_LOGP>
-3.967425295424468

> <ALOGPS_LOGS>
-2.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
14.026509933447965

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.853433750989278

> <JCHEM_PKA_STRONGEST_BASIC>
10.510095936923856

> <JCHEM_POLAR_SURFACE_AREA>
144.45999999999998

> <JCHEM_REFRACTIVITY>
72.4191

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028956
     RDKit          3D
Lysyllysine
 45 44  0  0  0  0  0  0  0  0999 V2000
   -5.7823    0.9059   -1.4274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4141   -0.4290   -1.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9105   -0.5104    0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7008    0.3321    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5243   -0.0446   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3894    0.9153    0.1335 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8858    2.2476   -0.1474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718    0.6381   -0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2810    1.5220   -1.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5249   -0.5956   -0.5496 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7140   -0.8656   -1.2999 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8974   -1.1918   -0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284   -0.0688    0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059   -0.4578    1.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7964    0.6393    2.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1549    1.8573    1.6392 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153   -2.0195   -2.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -2.6269   -2.3124 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -2.4332   -3.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1347    1.2900   -2.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7699    1.0089   -1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7148   -0.8350   -1.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3386   -1.0517   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7255   -0.1108    1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7601   -1.5601    0.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3843    0.1492    1.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9429    1.4065    0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407   -1.0549   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7179   -0.0103   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963    0.8175    1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4918    2.9644    0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7102    2.4668   -1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1596   -1.3388    0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593    0.0223   -1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6551   -2.0836    0.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7753   -1.4501   -1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460    0.1217    1.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    0.8535   -0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2849   -0.7337    0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386   -1.3469    1.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9739    0.8750    3.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6717    0.3195    2.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039    2.3394    2.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5343    1.6453    0.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904   -2.5185   -2.7386 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
 14 15  1  0
 15 16  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  1
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 16 43  1  0
 16 44  1  0
 19 45  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  C   UNK     0    8674.0418665.933   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8675.3758666.703   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0    8676.7098665.933   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   17                                                       
CONECT   16   15    1                                                       
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0028956
HETATM    1  N1  UNL     1      -5.782   0.906  -1.427  1.00  0.00           N  
HETATM    2  C1  UNL     1      -5.414  -0.429  -1.049  1.00  0.00           C  
HETATM    3  C2  UNL     1      -4.911  -0.510   0.373  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.701   0.332   0.615  1.00  0.00           C  
HETATM    5  C4  UNL     1      -2.524  -0.045  -0.249  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.389   0.915   0.133  1.00  0.00           C  
HETATM    7  N2  UNL     1      -1.886   2.248  -0.147  1.00  0.00           N  
HETATM    8  C6  UNL     1      -0.172   0.638  -0.635  1.00  0.00           C  
HETATM    9  O1  UNL     1       0.281   1.522  -1.402  1.00  0.00           O  
HETATM   10  N3  UNL     1       0.525  -0.596  -0.550  1.00  0.00           N  
HETATM   11  C7  UNL     1       1.714  -0.866  -1.300  1.00  0.00           C  
HETATM   12  C8  UNL     1       2.897  -1.192  -0.413  1.00  0.00           C  
HETATM   13  C9  UNL     1       3.228  -0.069   0.519  1.00  0.00           C  
HETATM   14  C10 UNL     1       4.406  -0.458   1.366  1.00  0.00           C  
HETATM   15  C11 UNL     1       4.796   0.639   2.337  1.00  0.00           C  
HETATM   16  N4  UNL     1       5.155   1.857   1.639  1.00  0.00           N  
HETATM   17  C12 UNL     1       1.515  -2.019  -2.246  1.00  0.00           C  
HETATM   18  O2  UNL     1       0.402  -2.627  -2.312  1.00  0.00           O  
HETATM   19  O3  UNL     1       2.552  -2.433  -3.060  1.00  0.00           O  
HETATM   20  H1  UNL     1      -5.135   1.290  -2.144  1.00  0.00           H  
HETATM   21  H2  UNL     1      -6.770   1.009  -1.683  1.00  0.00           H  
HETATM   22  H3  UNL     1      -4.715  -0.835  -1.789  1.00  0.00           H  
HETATM   23  H4  UNL     1      -6.339  -1.052  -1.097  1.00  0.00           H  
HETATM   24  H5  UNL     1      -5.725  -0.111   1.018  1.00  0.00           H  
HETATM   25  H6  UNL     1      -4.760  -1.560   0.694  1.00  0.00           H  
HETATM   26  H7  UNL     1      -3.384   0.149   1.673  1.00  0.00           H  
HETATM   27  H8  UNL     1      -3.943   1.407   0.558  1.00  0.00           H  
HETATM   28  H9  UNL     1      -2.141  -1.055  -0.000  1.00  0.00           H  
HETATM   29  H10 UNL     1      -2.718  -0.010  -1.319  1.00  0.00           H  
HETATM   30  H11 UNL     1      -1.196   0.818   1.224  1.00  0.00           H  
HETATM   31  H12 UNL     1      -1.492   2.964   0.516  1.00  0.00           H  
HETATM   32  H13 UNL     1      -1.710   2.467  -1.143  1.00  0.00           H  
HETATM   33  H14 UNL     1       0.160  -1.339   0.084  1.00  0.00           H  
HETATM   34  H15 UNL     1       1.959   0.022  -1.915  1.00  0.00           H  
HETATM   35  H16 UNL     1       2.655  -2.084   0.217  1.00  0.00           H  
HETATM   36  H17 UNL     1       3.775  -1.450  -1.024  1.00  0.00           H  
HETATM   37  H18 UNL     1       2.346   0.122   1.161  1.00  0.00           H  
HETATM   38  H19 UNL     1       3.441   0.853  -0.058  1.00  0.00           H  
HETATM   39  H20 UNL     1       5.285  -0.734   0.758  1.00  0.00           H  
HETATM   40  H21 UNL     1       4.139  -1.347   1.972  1.00  0.00           H  
HETATM   41  H22 UNL     1       3.974   0.875   3.028  1.00  0.00           H  
HETATM   42  H23 UNL     1       5.672   0.319   2.931  1.00  0.00           H  
HETATM   43  H24 UNL     1       5.904   2.339   2.165  1.00  0.00           H  
HETATM   44  H25 UNL     1       5.534   1.645   0.675  1.00  0.00           H  
HETATM   45  H26 UNL     1       3.490  -2.519  -2.739  1.00  0.00           H  
CONECT    1    2   20   21
CONECT    2    3   22   23
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6   28   29
CONECT    6    7    8   30
CONECT    7   31   32
CONECT    8    9    9   10
CONECT   10   11   33
CONECT   11   12   17   34
CONECT   12   13   35   36
CONECT   13   14   37   38
CONECT   14   15   39   40
CONECT   15   16   41   42
CONECT   16   43   44
CONECT   17   18   18   19
CONECT   19   45
END

HMDB0028956
     RDKit          3D
Lysyllysine
 45 44  0  0  0  0  0  0  0  0999 V2000
   -5.7823    0.9059   -1.4274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4141   -0.4290   -1.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9105   -0.5104    0.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7008    0.3321    0.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5243   -0.0446   -0.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3894    0.9153    0.1335 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8858    2.2476   -0.1474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718    0.6381   -0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2810    1.5220   -1.4016 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5249   -0.5956   -0.5496 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7140   -0.8656   -1.2999 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8974   -1.1918   -0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2284   -0.0688    0.5192 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059   -0.4578    1.3657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7964    0.6393    2.3369 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1549    1.8573    1.6392 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5153   -2.0195   -2.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4024   -2.6269   -2.3124 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5517   -2.4332   -3.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1347    1.2900   -2.1436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7699    1.0089   -1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7148   -0.8350   -1.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3386   -1.0517   -1.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7255   -0.1108    1.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7601   -1.5601    0.6938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3843    0.1492    1.6727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9429    1.4065    0.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1407   -1.0549   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7179   -0.0103   -1.3186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963    0.8175    1.2242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4918    2.9644    0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7102    2.4668   -1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1596   -1.3388    0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593    0.0223   -1.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6551   -2.0836    0.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7753   -1.4501   -1.0245 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3460    0.1217    1.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4415    0.8535   -0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2849   -0.7337    0.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1386   -1.3469    1.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9739    0.8750    3.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6717    0.3195    2.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039    2.3394    2.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5343    1.6453    0.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4904   -2.5185   -2.7386 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
 14 15  1  0
 15 16  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  2 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  1
  7 31  1  0
  7 32  1  0
 10 33  1  0
 11 34  1  6
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 14 40  1  0
 15 41  1  0
 15 42  1  0
 16 43  1  0
 16 44  1  0
 19 45  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Dilysine	ChEBI
H-L-Lys-L-lys-OH	ChEBI
H-Lys-lys-OH	ChEBI
KK	ChEBI
L-Lys-L-lys	ChEBI
Lysyl-lysine	ChEBI
Lysyllysine hydrochloride	HMDB
L-Lysyl-L-lysine	HMDB
Lysyllysine mono-trifluoroacetate	HMDB
Lysyllysine dihydrochloride	HMDB
K-K Dipeptide	HMDB
KK Dipeptide	HMDB
Lys-lys	HMDB
Lysine lysine dipeptide	HMDB
Lysine-lysine dipeptide	HMDB
N2-L-Lysyl-L-lysine	HMDB
N2-Lysyllysine	HMDB
Lysyllysine	ChEBI

Chemical Formula

C₁₂H₂₆N₄O₃

Average Molecular Weight

274.365

Monoisotopic Molecular Weight

274.200490713

IUPAC Name

(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanoic acid

Traditional Name

(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanoic acid

CAS Registry Number

13184-13-9

SMILES

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

InChI Identifier

InChI=1S/C12H26N4O3/c13-7-3-1-5-9(15)11(17)16-10(12(18)19)6-2-4-8-14/h9-10H,1-8,13-15H2,(H,16,17)(H,18,19)/t9-,10-/m0/s1

InChI Key

NVGBPTNZLWRQSY-UWVGGRQHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Peptides

Alternative Parents

Substituents

Alpha peptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid or derivatives
Medium-chain fatty acid
Amino fatty acid
Fatty acyl
Fatty acid
Amino acid or derivatives
Amino acid
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Organic oxide
Organic oxygen compound
Primary aliphatic amine
Amine
Organic nitrogen compound
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Primary amine
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:74564 )

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	-3.97	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.38 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-4	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	3.85	ChemAxon
pKa (Strongest Basic)	10.51	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	144.46 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	72.42 m³·mol⁻¹	ChemAxon
Polarizability	30.6 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]+	171.422	30932474
DeepCCS	[M-H]-	169.064	30932474
DeepCCS	[M-2H]-	201.95	30932474
DeepCCS	[M+Na]+	177.516	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lysyllysine	NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O	3479.1	Standard polar	33892256
Lysyllysine	NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O	2579.5	Standard non polar	33892256
Lysyllysine	NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O	2581.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lysyllysine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN	2526.4	Semi standard non polar	33892256
Lysyllysine,1TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O	2697.3	Semi standard non polar	33892256
Lysyllysine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O	2602.3	Semi standard non polar	33892256
Lysyllysine,1TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2691.8	Semi standard non polar	33892256
Lysyllysine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCCCN)C(=O)O	2517.5	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C	2662.5	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C	2576.2	Standard non polar	33892256
Lysyllysine,2TMS,isomer #10	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2733.1	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #10	C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2643.4	Standard non polar	33892256
Lysyllysine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2575.4	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2566.5	Standard non polar	33892256
Lysyllysine,2TMS,isomer #12	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C	2825.0	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #12	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C	2670.4	Standard non polar	33892256
Lysyllysine,2TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2608.7	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2599.0	Standard non polar	33892256
Lysyllysine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2603.2	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2576.8	Standard non polar	33892256
Lysyllysine,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2669.6	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2575.7	Standard non polar	33892256
Lysyllysine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2476.4	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2489.5	Standard non polar	33892256
Lysyllysine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O	2717.4	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O	2711.3	Standard non polar	33892256
Lysyllysine,2TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN[Si](C)(C)C)C(=O)O	2817.1	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN[Si](C)(C)C)C(=O)O	2724.2	Standard non polar	33892256
Lysyllysine,2TMS,isomer #7	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2817.0	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #7	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2672.1	Standard non polar	33892256
Lysyllysine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2607.9	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #8	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2602.6	Standard non polar	33892256
Lysyllysine,2TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O	2721.6	Semi standard non polar	33892256
Lysyllysine,2TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O	2711.6	Standard non polar	33892256
Lysyllysine,3TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2723.7	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2729.6	Standard non polar	33892256
Lysyllysine,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2840.4	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2853.9	Standard non polar	33892256
Lysyllysine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O	2867.4	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O	2793.0	Standard non polar	33892256
Lysyllysine,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2842.6	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2805.2	Standard non polar	33892256
Lysyllysine,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2661.7	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #13	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2740.0	Standard non polar	33892256
Lysyllysine,3TMS,isomer #14	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2949.6	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #14	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2812.0	Standard non polar	33892256
Lysyllysine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2693.2	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2773.3	Standard non polar	33892256
Lysyllysine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2955.2	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2811.0	Standard non polar	33892256
Lysyllysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	2765.5	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	2718.8	Standard non polar	33892256
Lysyllysine,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2874.7	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #18	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2793.6	Standard non polar	33892256
Lysyllysine,3TMS,isomer #19	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2669.7	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #19	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2738.0	Standard non polar	33892256
Lysyllysine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2792.8	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2720.2	Standard non polar	33892256
Lysyllysine,3TMS,isomer #20	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2842.0	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #20	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2808.2	Standard non polar	33892256
Lysyllysine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	2702.0	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN)C(=O)O	2698.7	Standard non polar	33892256
Lysyllysine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2763.5	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2713.5	Standard non polar	33892256
Lysyllysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN	2809.7	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN	2694.0	Standard non polar	33892256
Lysyllysine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2588.4	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2649.3	Standard non polar	33892256
Lysyllysine,3TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2722.5	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2729.5	Standard non polar	33892256
Lysyllysine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2728.1	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2711.3	Standard non polar	33892256
Lysyllysine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2548.4	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2635.6	Standard non polar	33892256
Lysyllysine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2805.4	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2695.7	Standard non polar	33892256
Lysyllysine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2581.1	Semi standard non polar	33892256
Lysyllysine,3TMS,isomer #9	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2652.3	Standard non polar	33892256
Lysyllysine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2810.2	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #1	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2870.3	Standard non polar	33892256
Lysyllysine,4TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2819.1	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #10	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2838.5	Standard non polar	33892256
Lysyllysine,4TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2617.8	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #11	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2772.4	Standard non polar	33892256
Lysyllysine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2705.3	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2770.6	Standard non polar	33892256
Lysyllysine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2748.3	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2770.8	Standard non polar	33892256
Lysyllysine,4TMS,isomer #14	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2977.1	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #14	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2909.3	Standard non polar	33892256
Lysyllysine,4TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2738.0	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #15	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2886.3	Standard non polar	33892256
Lysyllysine,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2978.4	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2909.3	Standard non polar	33892256
Lysyllysine,4TMS,isomer #17	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2941.5	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #17	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2943.8	Standard non polar	33892256
Lysyllysine,4TMS,isomer #18	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2982.8	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #18	C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2893.9	Standard non polar	33892256
Lysyllysine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2830.0	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C	2832.5	Standard non polar	33892256
Lysyllysine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2859.8	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2812.8	Standard non polar	33892256
Lysyllysine,4TMS,isomer #20	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2786.6	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #20	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2845.8	Standard non polar	33892256
Lysyllysine,4TMS,isomer #21	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3101.6	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #21	C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2903.0	Standard non polar	33892256
Lysyllysine,4TMS,isomer #22	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2850.8	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #22	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2848.8	Standard non polar	33892256
Lysyllysine,4TMS,isomer #23	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2838.8	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #23	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2845.7	Standard non polar	33892256
Lysyllysine,4TMS,isomer #24	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2992.8	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #24	C[Si](C)(C)N(CCCC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2897.1	Standard non polar	33892256
Lysyllysine,4TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2824.0	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #25	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2829.3	Standard non polar	33892256
Lysyllysine,4TMS,isomer #26	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2792.0	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #26	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2845.7	Standard non polar	33892256
Lysyllysine,4TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2623.3	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #3	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN)N[Si](C)(C)C)[Si](C)(C)C	2772.4	Standard non polar	33892256
Lysyllysine,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2816.9	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2840.9	Standard non polar	33892256
Lysyllysine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2921.2	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #5	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2815.8	Standard non polar	33892256
Lysyllysine,4TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2668.6	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2794.6	Standard non polar	33892256
Lysyllysine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2923.5	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #7	C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2814.9	Standard non polar	33892256
Lysyllysine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2743.8	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C	2766.5	Standard non polar	33892256
Lysyllysine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2857.2	Semi standard non polar	33892256
Lysyllysine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C	2812.4	Standard non polar	33892256
Lysyllysine,5TMS,isomer #1	C[Si](C)(C)NCCCC[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	2937.4	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #1	C[Si](C)(C)NCCCC[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	2918.5	Standard non polar	33892256
Lysyllysine,5TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2819.0	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #10	C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2875.0	Standard non polar	33892256
Lysyllysine,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2993.0	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2922.1	Standard non polar	33892256
Lysyllysine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2792.9	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2866.4	Standard non polar	33892256
Lysyllysine,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2795.3	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #13	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2873.7	Standard non polar	33892256
Lysyllysine,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3131.5	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2972.7	Standard non polar	33892256
Lysyllysine,5TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3092.1	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #15	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3002.1	Standard non polar	33892256
Lysyllysine,5TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2883.8	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #16	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2943.7	Standard non polar	33892256
Lysyllysine,5TMS,isomer #17	C[Si](C)(C)NCCCC[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	2894.6	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #17	C[Si](C)(C)NCCCC[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	2946.1	Standard non polar	33892256
Lysyllysine,5TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2862.0	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #18	C[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2973.1	Standard non polar	33892256
Lysyllysine,5TMS,isomer #19	C[Si](C)(C)NCCCC[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	3081.6	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #19	C[Si](C)(C)NCCCC[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	3000.0	Standard non polar	33892256
Lysyllysine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2866.1	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #2	C[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2958.1	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	2973.8	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	2942.0	Standard non polar	33892256
Lysyllysine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3039.5	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2937.4	Standard non polar	33892256
Lysyllysine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2970.5	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2941.1	Standard non polar	33892256
Lysyllysine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2680.5	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #3	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2895.2	Standard non polar	33892256
Lysyllysine,5TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2936.4	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #4	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2918.6	Standard non polar	33892256
Lysyllysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2998.5	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C	2927.4	Standard non polar	33892256
Lysyllysine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2785.1	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2864.2	Standard non polar	33892256
Lysyllysine,5TMS,isomer #7	C[Si](C)(C)NCCCC[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	2796.0	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #7	C[Si](C)(C)NCCCC[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	2874.2	Standard non polar	33892256
Lysyllysine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	3092.8	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C	2907.8	Standard non polar	33892256
Lysyllysine,5TMS,isomer #9	C[Si](C)(C)NCCCC[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	2834.7	Semi standard non polar	33892256
Lysyllysine,5TMS,isomer #9	C[Si](C)(C)NCCCC[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	2879.1	Standard non polar	33892256
Lysyllysine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3128.4	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2979.2	Standard non polar	33892256
Lysyllysine,6TMS,isomer #10	C[Si](C)(C)N(CCCC[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	3282.7	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #10	C[Si](C)(C)N(CCCC[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	3066.4	Standard non polar	33892256
Lysyllysine,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3092.3	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3012.4	Standard non polar	33892256
Lysyllysine,6TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3052.4	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #12	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3035.0	Standard non polar	33892256
Lysyllysine,6TMS,isomer #13	C[Si](C)(C)NCCCC[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	3061.5	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #13	C[Si](C)(C)NCCCC[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	3035.1	Standard non polar	33892256
Lysyllysine,6TMS,isomer #2	C[Si](C)(C)NCCCC[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	2869.0	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #2	C[Si](C)(C)NCCCC[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	2954.1	Standard non polar	33892256
Lysyllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[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	3058.9	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #3	C[Si](C)(C)NCCCC[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	3009.4	Standard non polar	33892256
Lysyllysine,6TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3059.7	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3012.6	Standard non polar	33892256
Lysyllysine,6TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2868.0	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #5	C[Si](C)(C)NCCCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCCCN[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2972.7	Standard non polar	33892256
Lysyllysine,6TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2864.0	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #6	C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2951.9	Standard non polar	33892256
Lysyllysine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCCCN([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	3007.6	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCCCN([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	2964.4	Standard non polar	33892256
Lysyllysine,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCCN([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	3051.6	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCCN([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	2963.8	Standard non polar	33892256
Lysyllysine,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCCCN)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	3009.7	Semi standard non polar	33892256
Lysyllysine,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCCCN)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	2963.1	Standard non polar	33892256
Lysyllysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCCN([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	3276.5	Semi standard non polar	33892256
Lysyllysine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCCN([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	3078.7	Standard non polar	33892256
Lysyllysine,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3089.7	Semi standard non polar	33892256
Lysyllysine,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3023.6	Standard non polar	33892256
Lysyllysine,7TMS,isomer #3	C[Si](C)(C)NCCCC[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	3098.0	Semi standard non polar	33892256
Lysyllysine,7TMS,isomer #3	C[Si](C)(C)NCCCC[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	3040.3	Standard non polar	33892256
Lysyllysine,7TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3093.7	Semi standard non polar	33892256
Lysyllysine,7TMS,isomer #4	C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3040.7	Standard non polar	33892256
Lysyllysine,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](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3297.4	Semi standard non polar	33892256
Lysyllysine,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](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3111.0	Standard non polar	33892256
Lysyllysine,8TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCCN([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	3331.1	Semi standard non polar	33892256
Lysyllysine,8TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCCN([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	3122.8	Standard non polar	33892256
Lysyllysine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN	2799.9	Semi standard non polar	33892256
Lysyllysine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O	2943.2	Semi standard non polar	33892256
Lysyllysine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O	2862.7	Semi standard non polar	33892256
Lysyllysine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O	2938.1	Semi standard non polar	33892256
Lysyllysine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCCCN)C(=O)O	2782.3	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3196.4	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2947.8	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3188.6	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2987.3	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3092.7	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2920.8	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3305.4	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(CCCC[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2992.1	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3138.4	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2957.2	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3125.0	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2943.8	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3197.6	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	2948.3	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	3017.9	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C	2867.8	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	3227.3	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	3049.9	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O	3336.5	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O	3051.2	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3296.5	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2994.7	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3132.8	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	2960.7	Standard non polar	33892256
Lysyllysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)C(=O)O	3237.2	Semi standard non polar	33892256
Lysyllysine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN)N[Si](C)(C)C(C)(C)C)C(=O)O	3050.4	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[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	3435.2	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[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	3214.5	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3601.1	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3284.5	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	3577.8	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	3262.1	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3575.5	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3266.8	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3404.4	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3203.1	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCCC[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	3684.3	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCCC[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	3287.3	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3467.0	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3235.5	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3689.3	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3286.0	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	3459.4	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	3199.2	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3582.5	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3262.2	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCC[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	3415.1	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCC[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	3201.0	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3504.8	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3226.8	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCCC[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	3573.4	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCCC[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	3269.1	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	3399.6	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	3189.9	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3458.3	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3193.5	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN	3534.9	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCCCN	3180.2	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[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	3357.5	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[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	3164.4	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3436.5	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3214.2	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3446.2	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3197.7	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3309.4	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3157.7	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3525.5	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3181.9	Standard non polar	33892256
Lysyllysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3347.3	Semi standard non polar	33892256
Lysyllysine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3167.5	Standard non polar	33892256
Lysyllysine,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](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3737.3	Semi standard non polar	33892256
Lysyllysine,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](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3440.4	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3766.4	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3425.9	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3577.4	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3382.2	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)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	3618.7	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)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	3397.5	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)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	3675.1	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)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	3393.9	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3913.0	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3495.8	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3716.7	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3428.7	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[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	3912.4	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[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	3495.7	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[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	3922.5	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[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	3499.3	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3875.0	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3469.1	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3726.8	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C	3421.6	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](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	3776.8	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](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	3414.7	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3714.7	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3433.0	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](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	3966.4	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](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	3507.5	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NCCCC[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	3786.6	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NCCCC[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	3442.4	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](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	3771.8	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](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	3438.4	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(CCCC[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	3891.3	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(CCCC[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	3475.1	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](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	3713.5	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](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	3416.3	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NCCCC[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	3714.6	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NCCCC[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	3432.8	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[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	3586.7	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCC[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	3379.6	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[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	3761.7	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCC[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	3429.1	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[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	3848.2	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCC[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	3431.3	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3645.4	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3402.0	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](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	3854.4	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](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	3430.2	Standard non polar	33892256
Lysyllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([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	3662.2	Semi standard non polar	33892256
Lysyllysine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([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	3386.5	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3774.3	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C	3413.3	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[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	4085.4	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCC[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	3614.8	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3970.0	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3591.0	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)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	4077.9	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)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	3610.5	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3923.3	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3577.2	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3929.7	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3595.4	Standard non polar	33892256
Lysyllysine,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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4213.6	Semi standard non polar	33892256
Lysyllysine,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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3679.0	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4228.1	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3681.4	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](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	4018.2	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](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	3611.7	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[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	4039.8	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NCCCC[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	3615.6	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4034.4	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3633.9	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCC[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	4207.0	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NCCCC[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	3676.6	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4085.1	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCC[C@H](NC(=O)[C@H](CCCCN[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3627.5	Standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	4024.4	Semi standard non polar	33892256
Lysyllysine,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](CCCCN)C(=O)O	3636.4	Standard non polar	33892256
Lysyllysine,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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4083.6	Semi standard non polar	33892256
Lysyllysine,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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3637.4	Standard non polar	33892256
Lysyllysine,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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4024.9	Semi standard non polar	33892256
Lysyllysine,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](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3637.4	Standard non polar	33892256
Lysyllysine,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](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3847.2	Semi standard non polar	33892256
Lysyllysine,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](CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3573.2	Standard non polar	33892256
Lysyllysine,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](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	4085.8	Semi standard non polar	33892256
Lysyllysine,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](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	3614.9	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([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	4095.2	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([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	3618.0	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3909.3	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3572.3	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[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	3931.6	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCCC[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	3596.0	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([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	4163.6	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([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	3634.7	Standard non polar	33892256
Lysyllysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[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	3986.7	Semi standard non polar	33892256
Lysyllysine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NCCCC[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	3596.3	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Lysyllysine 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 - Lysyllysine 10V, Positive-QTOF	splash10-004i-0090000000-16334f523aa8a59042b9	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyllysine 20V, Positive-QTOF	splash10-0040-7940000000-93351e6fb547d9a2c805	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyllysine 40V, Positive-QTOF	splash10-0ab9-9300000000-f9053ba8f4805b3f59d8	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyllysine 10V, Negative-QTOF	splash10-00di-0090000000-f4342255d9220cc79def	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyllysine 20V, Negative-QTOF	splash10-0002-1920000000-3c8151e2bebb50250c39	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lysyllysine 40V, Negative-QTOF	splash10-0f6y-7900000000-903480d71f354837f6ef	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

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

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

FDB111979

KNApSAcK ID

Not Available

Chemspider ID

114170

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

128837

PDB ID

Not Available

ChEBI ID

74564

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

Thorne BA, Viveros OH, Thomas G: Expression and processing of mouse proopiomelanocortin in bovine adrenal chromaffin cells. A model system to study tissue-specific prohormone processing. J Biol Chem. 1991 Jul 25;266(21):13607-15. [PubMed:1856197 ]
Graf J, Hodgson R, van Daal A: Single nucleotide polymorphisms in the MATP gene are associated with normal human pigmentation variation. Hum Mutat. 2005 Mar;25(3):278-84. [PubMed:15714523 ]
Perron MS, Gobeil F Jr, Pelletier S, Regoli D, Sirois P: Involvement of bradykinin B1 and B2 receptors in pulmonary leukocyte accumulation induced by Sephadex beads in guinea pigs. Eur J Pharmacol. 1999 Jul 2;376(1-2):83-9. [PubMed:10440093 ]
Jun YJ, Kim JH, Choi SJ, Lee HJ, Jun MJ, Sohn YS: A tetra(L-lysine)-grafted poly(organophosphazene) for gene delivery. Bioorg Med Chem Lett. 2007 Jun 1;17(11):2975-8. Epub 2007 Mar 25. [PubMed:17428658 ]
Staffilani M, Hoss E, Giesen U, Schneider E, Hartl F, Josel HP, De Cola L: Multimetallic ruthenium(II) complexes as electrochemiluminescent labels. Inorg Chem. 2003 Dec 1;42(24):7789-98. [PubMed:14632494 ]
Dray A, Patel IA, Perkins MN, Rueff A: Bradykinin-induced activation of nociceptors: receptor and mechanistic studies on the neonatal rat spinal cord-tail preparation in vitro. Br J Pharmacol. 1992 Dec;107(4):1129-34. [PubMed:1334751 ]

Showing metabocard for Lysyllysine (HMDB0028956)

MOL for HMDB0028956 (Lysyllysine)

3D MOL for HMDB0028956 (Lysyllysine)

3D SDF for HMDB0028956 (Lysyllysine)

3D-SDF for HMDB0028956 (Lysyllysine)

PDB for HMDB0028956 (Lysyllysine)

3D PDB for HMDB0028956 (Lysyllysine)

SMILES for HMDB0028956 (Lysyllysine)

INCHI for HMDB0028956 (Lysyllysine)

Structure for HMDB0028956 (Lysyllysine)

3D Structure for HMDB0028956 (Lysyllysine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra