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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2012-09-06 21:02:30 UTC

Update Date

2021-09-14 15:36:52 UTC

HMDB ID

HMDB0028795

Secondary Accession Numbers

HMDB28795

Metabolite Identification

Common Name

Glutaminylglutamine

Description

Glutaminylglutamine, also known as H-L-GLN-L-GLN-OH or QQ, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Glutaminylglutamine 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 glutaminylglutamine a potential biomarker for the consumption of these foods. Glutaminylglutamine 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 small amount of articles have been published on Glutaminylglutamine.

Structure

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

HMDB0028795
     RDKit          3D
Glutaminylglutamine
 37 36  0  0  0  0  0  0  0  0999 V2000
    5.1322   -0.9879    0.0097 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1704   -0.2381    0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4163    0.9649    0.9688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9184   -0.8288    1.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624    0.0588    1.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4513    1.2333    1.0998 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5391    1.9475    1.9756 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7428    0.8792   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2936    0.2471   -1.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6168    1.2499   -0.2821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3491    0.9255   -1.4657 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6032    0.1478   -1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3438   -1.1681   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6385   -1.8583   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6755   -3.1397    0.3339 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7165   -1.3427   -0.6682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7278    2.1914   -2.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4302    3.3281   -1.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4508    2.1212   -3.3170 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -1.6301   -0.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327   -0.8965    0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -1.3486    0.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1555   -1.6742    1.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1230   -0.5630    2.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520    0.4687    2.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071    1.9036    0.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0496    2.5827    2.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    1.2665    2.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089    1.7713    0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849    0.3724   -2.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2885    0.7513   -0.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0811   -0.0651   -2.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8738   -1.0252    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7252   -1.8371   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5704   -3.2153    1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8091   -3.9643   -0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3709    1.3719   -3.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  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
 14 16  2  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  6
  7 27  1  0
  7 28  1  0
 10 29  1  0
 11 30  1  6
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 15 35  1  0
 15 36  1  0
 19 37  1  0
M  END


  Mrv1652304062013362D          

 19 18  0  0  0  0            999 V2000
 2500.7113 2501.0256    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2500.7113 2500.2006    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4340 2499.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1464 2500.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4340 2498.9763    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2500.7196 2498.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.0051 2498.9763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.2907 2498.5628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.5455 2498.9928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2499.2907 2497.7378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1464 2498.5628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2499.9969 2501.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.2824 2501.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.5680 2501.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.8535 2501.0256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.5680 2502.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4258 2501.4371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1402 2501.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4258 2502.2621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1 12  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  1  0  0  0
  5  6  1  0  0  0  0
  5 11  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
  8 10  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028795

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)/t5-,6-/m0/s1

> <INCHI_KEY>
LOJYQMFIIJVETK-WDSKDSINSA-N

> <FORMULA>
C10H18N4O5

> <MOLECULAR_WEIGHT>
274.277

> <EXACT_MASS>
274.127719696

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
26.583161292665736

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

> <ALOGPS_LOGP>
-3.45

> <JCHEM_LOGP>
-5.700090680347805

> <ALOGPS_LOGS>
-1.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.416121079969553

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.488443387515799

> <JCHEM_PKA_STRONGEST_BASIC>
8.225641843590397

> <JCHEM_POLAR_SURFACE_AREA>
178.59999999999997

> <JCHEM_REFRACTIVITY>
63.01990000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028795
     RDKit          3D
Glutaminylglutamine
 37 36  0  0  0  0  0  0  0  0999 V2000
    5.1322   -0.9879    0.0097 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1704   -0.2381    0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4163    0.9649    0.9688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9184   -0.8288    1.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624    0.0588    1.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4513    1.2333    1.0998 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5391    1.9475    1.9756 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7428    0.8792   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2936    0.2471   -1.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6168    1.2499   -0.2821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3491    0.9255   -1.4657 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6032    0.1478   -1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3438   -1.1681   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6385   -1.8583   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6755   -3.1397    0.3339 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7165   -1.3427   -0.6682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7278    2.1914   -2.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4302    3.3281   -1.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4508    2.1212   -3.3170 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -1.6301   -0.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327   -0.8965    0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -1.3486    0.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1555   -1.6742    1.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1230   -0.5630    2.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520    0.4687    2.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071    1.9036    0.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0496    2.5827    2.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    1.2665    2.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089    1.7713    0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849    0.3724   -2.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2885    0.7513   -0.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0811   -0.0651   -2.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8738   -1.0252    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7252   -1.8371   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5704   -3.2153    1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8091   -3.9643   -0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3709    1.3719   -3.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  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
 14 16  2  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  6
  7 27  1  0
  7 28  1  0
 10 29  1  0
 11 30  1  6
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 15 35  1  0
 15 36  1  0
 19 37  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    4667.9944668.581   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4667.9944667.041   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4669.3434666.296   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    4670.6734667.064   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    4669.3434664.756   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4668.0104663.984   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4666.6764664.756   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    4665.3434663.984   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0    4663.9524664.787   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0    4665.3434662.444   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0    4670.6734663.984   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0    4666.6614669.349   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    4665.3274668.581   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    4663.9944669.349   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0    4662.6604668.581   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0    4663.9944670.889   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0    4669.3284669.349   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0    4670.6624668.581   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    4669.3284670.889   0.000  0.00  0.00           O+0
CONECT    1    2   12   17                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   11                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    5                                                            
CONECT   12    1   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    1   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

COMPND    HMDB0028795
HETATM    1  N1  UNL     1       5.132  -0.988   0.010  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.170  -0.238   0.725  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.416   0.965   0.969  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.918  -0.829   1.176  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.962   0.059   1.872  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.451   1.233   1.100  1.00  0.00           C  
HETATM    7  N2  UNL     1       0.539   1.947   1.976  1.00  0.00           N  
HETATM    8  C5  UNL     1       0.743   0.879  -0.130  1.00  0.00           C  
HETATM    9  O2  UNL     1       1.294   0.247  -1.081  1.00  0.00           O  
HETATM   10  N3  UNL     1      -0.617   1.250  -0.282  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.349   0.925  -1.466  1.00  0.00           C  
HETATM   12  C7  UNL     1      -2.603   0.148  -1.202  1.00  0.00           C  
HETATM   13  C8  UNL     1      -2.344  -1.168  -0.519  1.00  0.00           C  
HETATM   14  C9  UNL     1      -3.639  -1.858  -0.303  1.00  0.00           C  
HETATM   15  N4  UNL     1      -3.676  -3.140   0.334  1.00  0.00           N  
HETATM   16  O3  UNL     1      -4.717  -1.343  -0.668  1.00  0.00           O  
HETATM   17  C10 UNL     1      -1.728   2.191  -2.138  1.00  0.00           C  
HETATM   18  O4  UNL     1      -1.430   3.328  -1.699  1.00  0.00           O  
HETATM   19  O5  UNL     1      -2.451   2.121  -3.317  1.00  0.00           O  
HETATM   20  H1  UNL     1       4.900  -1.630  -0.774  1.00  0.00           H  
HETATM   21  H2  UNL     1       6.133  -0.897   0.278  1.00  0.00           H  
HETATM   22  H3  UNL     1       2.389  -1.349   0.330  1.00  0.00           H  
HETATM   23  H4  UNL     1       3.155  -1.674   1.888  1.00  0.00           H  
HETATM   24  H5  UNL     1       1.123  -0.563   2.249  1.00  0.00           H  
HETATM   25  H6  UNL     1       2.452   0.469   2.795  1.00  0.00           H  
HETATM   26  H7  UNL     1       2.307   1.904   0.828  1.00  0.00           H  
HETATM   27  H8  UNL     1       1.050   2.583   2.603  1.00  0.00           H  
HETATM   28  H9  UNL     1      -0.070   1.267   2.491  1.00  0.00           H  
HETATM   29  H10 UNL     1      -1.109   1.771   0.476  1.00  0.00           H  
HETATM   30  H11 UNL     1      -0.685   0.372  -2.173  1.00  0.00           H  
HETATM   31  H12 UNL     1      -3.289   0.751  -0.587  1.00  0.00           H  
HETATM   32  H13 UNL     1      -3.081  -0.065  -2.187  1.00  0.00           H  
HETATM   33  H14 UNL     1      -1.874  -1.025   0.473  1.00  0.00           H  
HETATM   34  H15 UNL     1      -1.725  -1.837  -1.148  1.00  0.00           H  
HETATM   35  H16 UNL     1      -3.570  -3.215   1.367  1.00  0.00           H  
HETATM   36  H17 UNL     1      -3.809  -3.964  -0.274  1.00  0.00           H  
HETATM   37  H18 UNL     1      -2.371   1.372  -3.990  1.00  0.00           H  
CONECT    1    2   20   21
CONECT    2    3    3    4
CONECT    4    5   22   23
CONECT    5    6   24   25
CONECT    6    7    8   26
CONECT    7   27   28
CONECT    8    9    9   10
CONECT   10   11   29
CONECT   11   12   17   30
CONECT   12   13   31   32
CONECT   13   14   33   34
CONECT   14   15   16   16
CONECT   15   35   36
CONECT   17   18   18   19
CONECT   19   37
END

HMDB0028795
     RDKit          3D
Glutaminylglutamine
 37 36  0  0  0  0  0  0  0  0999 V2000
    5.1322   -0.9879    0.0097 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1704   -0.2381    0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4163    0.9649    0.9688 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9184   -0.8288    1.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9624    0.0588    1.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4513    1.2333    1.0998 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5391    1.9475    1.9756 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7428    0.8792   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2936    0.2471   -1.0808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6168    1.2499   -0.2821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3491    0.9255   -1.4657 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6032    0.1478   -1.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3438   -1.1681   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6385   -1.8583   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6755   -3.1397    0.3339 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7165   -1.3427   -0.6682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7278    2.1914   -2.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4302    3.3281   -1.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4508    2.1212   -3.3170 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9000   -1.6301   -0.7737 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327   -0.8965    0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893   -1.3486    0.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1555   -1.6742    1.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1230   -0.5630    2.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4520    0.4687    2.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071    1.9036    0.8279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0496    2.5827    2.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    1.2665    2.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089    1.7713    0.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849    0.3724   -2.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2885    0.7513   -0.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0811   -0.0651   -2.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8738   -1.0252    0.4730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7252   -1.8371   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5704   -3.2153    1.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8091   -3.9643   -0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3709    1.3719   -3.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  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
 14 16  2  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
  1 20  1  0
  1 21  1  0
  4 22  1  0
  4 23  1  0
  5 24  1  0
  5 25  1  0
  6 26  1  6
  7 27  1  0
  7 28  1  0
 10 29  1  0
 11 30  1  6
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
 15 35  1  0
 15 36  1  0
 19 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Glutaminyl-glutamine	ChEBI
H-GLN-GLN-OH	ChEBI
H-L-GLN-L-GLN-OH	ChEBI
L-GLN-L-GLN	ChEBI
QQ	ChEBI
GLN-GLN	HMDB
L-Glutaminyl-L-glutamine	HMDB
N2-Glutaminylglutamine	HMDB
N2-L-Glutaminyl-L-glutamine	HMDB
Glutamine glutamine dipeptide	HMDB
Glutamine-glutamine dipeptide	HMDB
Q-Q Dipeptide	HMDB
QQ Dipeptide	HMDB
Glutaminylglutamine	HMDB, ChEBI

Chemical Formula

C₁₀H₁₈N₄O₅

Average Molecular Weight

274.277

Monoisotopic Molecular Weight

274.127719696

IUPAC Name

(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

Traditional Name

(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carbamoylbutanoic acid

CAS Registry Number

54419-93-1

SMILES

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

InChI Identifier

InChI=1S/C10H18N4O5/c11-5(1-3-7(12)15)9(17)14-6(10(18)19)2-4-8(13)16/h5-6H,1-4,11H2,(H2,12,15)(H2,13,16)(H,14,17)(H,18,19)/t5-,6-/m0/s1

InChI Key

LOJYQMFIIJVETK-WDSKDSINSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:73846 )

Ontology

Not Available

Feces (PMID: 27015276)

Source

Endogenous

Endogenous (HMDB: HMDB0028795)

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

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-5.7	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.2 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-5.7	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	3.49	ChemAxon
pKa (Strongest Basic)	8.23	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	178.6 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	63.02 m³·mol⁻¹	ChemAxon
Polarizability	26.58 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]+	165.091	30932474
DeepCCS	[M-H]-	162.733	30932474
DeepCCS	[M-2H]-	195.619	30932474
DeepCCS	[M+Na]+	171.185	30932474
AllCCS	[M+H]+	158.7	32859911
AllCCS	[M+H-H2O]+	155.7	32859911
AllCCS	[M+NH4]+	161.4	32859911
AllCCS	[M+Na]+	162.2	32859911
AllCCS	[M-H]-	160.9	32859911
AllCCS	[M+Na-2H]-	161.1	32859911
AllCCS	[M+HCOO]-	161.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glutaminylglutamine	N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O	3331.5	Standard polar	33892256
Glutaminylglutamine	N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O	2402.3	Standard non polar	33892256
Glutaminylglutamine	N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O	3087.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutaminylglutamine,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O	2668.1	Semi standard non polar	33892256
Glutaminylglutamine,1TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2722.8	Semi standard non polar	33892256
Glutaminylglutamine,1TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2726.5	Semi standard non polar	33892256
Glutaminylglutamine,1TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O	2728.4	Semi standard non polar	33892256
Glutaminylglutamine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(N)=O)[C@@H](CCC(N)=O)C(=O)O	2662.1	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O[Si](C)(C)C	2736.6	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O[Si](C)(C)C	2585.5	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #10	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2848.5	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #10	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2660.2	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2706.2	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2633.7	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O)[Si](C)(C)C	2854.2	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O)[Si](C)(C)C	2657.6	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2713.3	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2629.6	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2747.5	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2556.3	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2742.7	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2588.2	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2652.8	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2487.1	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2796.9	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2692.5	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #6	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)C(=O)O	2790.2	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #6	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)C(=O)O	2695.1	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #7	C[Si](C)(C)N([C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2859.1	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #7	C[Si](C)(C)N([C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2658.8	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2720.8	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2572.0	Standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O	2833.5	Semi standard non polar	33892256
Glutaminylglutamine,2TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O	2725.9	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2798.3	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2702.4	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #10	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2886.2	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #10	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2833.9	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2902.2	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2771.7	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2953.5	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2814.1	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2752.9	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2745.8	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2899.5	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2771.9	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2760.8	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2746.3	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2939.3	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2817.2	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2836.2	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2701.7	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2927.4	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2795.9	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #19	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2771.5	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #19	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2796.4	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2845.7	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2718.8	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #20	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2923.7	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #20	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2794.9	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2779.8	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2725.8	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(N)=O)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2792.2	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(N)=O)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2724.7	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(N)=O	2859.7	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(N)=O	2674.1	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2698.8	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2647.1	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2803.3	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2701.7	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2901.5	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2690.9	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2698.7	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2605.9	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C	2867.3	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C	2677.4	Standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2684.1	Semi standard non polar	33892256
Glutaminylglutamine,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2650.5	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2897.6	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2827.2	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #10	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2932.5	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #10	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2808.4	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2725.5	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #11	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2737.6	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2859.6	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2727.9	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2779.0	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2742.2	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2945.8	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2889.6	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2823.8	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2872.0	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2945.1	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2891.9	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #17	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2982.1	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #17	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2931.3	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3038.6	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2900.1	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2841.7	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #19	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C	2822.4	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2887.5	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2773.3	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #20	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2877.2	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #20	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2840.1	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #21	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3030.0	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #21	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2895.6	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #22	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2853.2	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #22	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2826.0	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #23	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2880.1	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #23	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2839.5	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #24	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3011.8	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #24	C[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2876.6	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #25	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2855.6	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #25	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2852.8	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #26	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2853.2	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #26	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2856.3	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2735.8	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)[Si](C)(C)C	2737.7	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2907.9	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2809.8	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2908.4	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2795.3	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #6	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2736.8	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #6	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2778.2	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2904.0	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2795.6	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2797.3	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C	2739.8	Standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2890.8	Semi standard non polar	33892256
Glutaminylglutamine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C	2774.5	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2920.5	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #1	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2885.9	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #10	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2814.8	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #10	C[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2857.3	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3026.8	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2894.8	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2810.6	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #12	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2823.2	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2885.9	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2845.5	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3020.2	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2949.5	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3067.3	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #15	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2986.0	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2880.5	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #16	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2931.6	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #17	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2878.9	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #17	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2928.1	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2921.8	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #18	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2954.5	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #19	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3061.6	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #19	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2990.8	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2956.1	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2927.4	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3000.5	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(N)=O)C(=O)O	2926.4	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3003.6	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #21	C[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2923.3	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2979.5	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #22	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2929.2	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2776.1	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2865.9	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2919.2	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2884.6	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	3008.6	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2892.8	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2827.5	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2826.5	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2887.1	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #7	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2846.6	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C	3007.4	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C	2879.9	Standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2815.0	Semi standard non polar	33892256
Glutaminylglutamine,5TMS,isomer #9	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2855.6	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3011.1	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2950.9	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #10	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3189.4	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #10	C[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3059.5	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2995.3	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3000.0	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3031.3	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #12	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3023.2	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3032.1	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #13	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3024.5	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2834.9	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #2	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2930.5	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3039.0	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2993.1	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3038.9	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2989.2	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2903.9	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #5	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2954.7	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #6	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2845.5	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #6	C[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2933.6	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3018.0	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2937.8	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2957.4	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2944.0	Standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3011.5	Semi standard non polar	33892256
Glutaminylglutamine,6TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2938.2	Standard non polar	33892256
Glutaminylglutamine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3194.2	Semi standard non polar	33892256
Glutaminylglutamine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3065.8	Standard non polar	33892256
Glutaminylglutamine,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2975.9	Semi standard non polar	33892256
Glutaminylglutamine,7TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3008.9	Standard non polar	33892256
Glutaminylglutamine,7TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3028.4	Semi standard non polar	33892256
Glutaminylglutamine,7TMS,isomer #3	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3031.9	Standard non polar	33892256
Glutaminylglutamine,7TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3032.9	Semi standard non polar	33892256
Glutaminylglutamine,7TMS,isomer #4	C[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3031.7	Standard non polar	33892256
Glutaminylglutamine,7TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3201.9	Semi standard non polar	33892256
Glutaminylglutamine,7TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3108.6	Standard non polar	33892256
Glutaminylglutamine,8TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3221.8	Semi standard non polar	33892256
Glutaminylglutamine,8TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3114.7	Standard non polar	33892256
Glutaminylglutamine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(N)=O	2919.1	Semi standard non polar	33892256
Glutaminylglutamine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O	2972.6	Semi standard non polar	33892256
Glutaminylglutamine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3001.2	Semi standard non polar	33892256
Glutaminylglutamine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O	3000.5	Semi standard non polar	33892256
Glutaminylglutamine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(N)=O)[C@@H](CCC(N)=O)C(=O)O	2925.9	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3227.3	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2942.0	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3330.6	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3028.4	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3200.7	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2970.1	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3334.9	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3026.7	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	3217.7	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	2966.7	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3217.8	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2953.0	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3231.5	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2946.0	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	3159.6	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	2877.9	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3288.0	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3059.2	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3279.9	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3062.3	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N([C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3331.4	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N([C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3032.7	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3215.1	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2944.8	Standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3354.9	Semi standard non polar	33892256
Glutaminylglutamine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3036.6	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3471.4	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3208.6	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3575.3	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3279.1	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3572.5	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O	3293.6	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3618.3	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3287.3	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3465.9	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3206.9	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3571.8	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3292.3	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3477.5	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3206.1	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3606.7	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3290.0	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3520.6	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3198.5	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3616.5	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3269.0	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3480.8	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3225.9	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3528.6	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3200.7	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3615.3	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3270.0	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3478.8	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3204.9	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(N)=O)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3491.1	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(N)=O)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3205.4	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCC(N)=O	3517.4	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCC(N)=O	3186.3	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	3415.4	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	3146.8	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3471.4	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3209.1	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3549.1	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3198.7	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3413.9	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3139.8	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3528.5	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3187.6	Standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3402.8	Semi standard non polar	33892256
Glutaminylglutamine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3150.7	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3737.6	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3401.7	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3814.0	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3424.1	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3638.1	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3364.4	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3745.8	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3382.5	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3688.8	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3385.8	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3834.3	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3476.5	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3690.9	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3404.4	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3834.2	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3477.1	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3880.7	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3485.2	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3891.6	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3502.0	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3743.3	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3424.9	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3756.8	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3416.9	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3780.9	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3434.0	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3882.4	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3497.6	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3746.7	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3426.3	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3781.0	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3433.5	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3860.1	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3492.7	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3737.6	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3435.2	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3736.9	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3438.5	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3655.0	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3364.5	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3800.2	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3424.0	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3787.1	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3412.9	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3648.2	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3375.6	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3783.9	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3414.0	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	3698.8	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C	3385.2	Standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3756.6	Semi standard non polar	33892256
Glutaminylglutamine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3417.0	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3999.8	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3597.3	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3923.2	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3589.9	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4097.4	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3629.5	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3930.1	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3575.4	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3990.3	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N([C@@H](CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3584.7	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4081.2	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3671.7	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4147.3	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3676.0	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3956.5	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3613.9	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3959.1	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3612.8	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4013.7	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3623.0	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4147.7	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3678.7	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4061.9	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3608.4	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	4060.6	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(N)=O)C(=O)O	3650.2	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4059.0	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3648.8	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4006.7	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3645.7	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3859.9	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3552.4	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3997.7	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3597.6	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4090.2	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3626.7	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3940.2	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(N)=O)C(=O)N([C@@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3577.3	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3994.9	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3584.7	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4048.8	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3624.9	Standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3924.9	Semi standard non polar	33892256
Glutaminylglutamine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3586.9	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glutaminylglutamine 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 - Glutaminylglutamine 10V, Positive-QTOF	splash10-0a6r-0290000000-90deb4bfb69aa4f38eef	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 20V, Positive-QTOF	splash10-0gx3-4790000000-9e1175b285c508155391	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 40V, Positive-QTOF	splash10-0pc0-9200000000-5e0366a7bbccdc4d6205	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 10V, Negative-QTOF	splash10-05fr-0090000000-776808ad117e3ccfeb38	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 20V, Negative-QTOF	splash10-054p-3690000000-2647caed1e4303af69f0	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 40V, Negative-QTOF	splash10-0006-9400000000-22e89fed4abc4f6375ad	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 10V, Positive-QTOF	splash10-004i-0590000000-46fc1ca21dea079f96b1	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 20V, Positive-QTOF	splash10-0pe9-5970000000-2b7d9c37b12af23fb1fa	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 40V, Positive-QTOF	splash10-0pc9-9300000000-8e80a0d06d110042ea02	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 10V, Negative-QTOF	splash10-00di-0190000000-52dca7cc4e71bff05018	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 20V, Negative-QTOF	splash10-004l-1900000000-c57e5a6b618fa8962cdd	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutaminylglutamine 40V, Negative-QTOF	splash10-0f6x-9600000000-0d1f49170f6493f02b88	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	25037050	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	25037050	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Colorectal cancer	27015276	details

Associated Disorders and Diseases

Disease References

Colorectal cancer

Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]

Associated OMIM IDs

114500 (Colorectal cancer)

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111844

KNApSAcK ID

Not Available

Chemspider ID

5374154

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7010587

PDB ID

Not Available

ChEBI ID

73846

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

Wei X, Chen D, Lv T: A functional polymorphism in XRCC1 is associated with glioma risk: evidence from a meta-analysis. Mol Biol Rep. 2013 Jan;40(1):567-72. doi: 10.1007/s11033-012-2093-y. Epub 2012 Oct 25. [PubMed:23096083 ]
Tahara T, Shibata T, Nakamura M, Okubo M, Yamashita H, Yoshioka D, Yonemura J, Hirata I, Arisawa T: Association between polymorphisms in the XRCC1 and GST genes, and CpG island methylation status in colonic mucosa in ulcerative colitis. Virchows Arch. 2011 Feb;458(2):205-11. doi: 10.1007/s00428-010-1038-x. Epub 2011 Jan 14. [PubMed:21234761 ]
Krediet TG, Wiertsema SP, Vossers MJ, Hoeks SB, Fleer A, Ruven HJ, Rijkers GT: Toll-like receptor 2 polymorphism is associated with preterm birth. Pediatr Res. 2007 Oct;62(4):474-6. [PubMed:17667860 ]
Xi D, Pan S, Cui T, Wu J: Association between IL-13 gene polymorphism and asthma in Han nationality in Hubei Chinese population. J Huazhong Univ Sci Technolog Med Sci. 2004;24(3):219-22. [PubMed:15315330 ]

Showing metabocard for Glutaminylglutamine (HMDB0028795)

MOL for HMDB0028795 (Glutaminylglutamine)

3D MOL for HMDB0028795 (Glutaminylglutamine)

3D SDF for HMDB0028795 (Glutaminylglutamine)

3D-SDF for HMDB0028795 (Glutaminylglutamine)

PDB for HMDB0028795 (Glutaminylglutamine)

3D PDB for HMDB0028795 (Glutaminylglutamine)

SMILES for HMDB0028795 (Glutaminylglutamine)

INCHI for HMDB0028795 (Glutaminylglutamine)

Structure for HMDB0028795 (Glutaminylglutamine)

3D Structure for HMDB0028795 (Glutaminylglutamine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra