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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:19 UTC

Update Date

2021-09-14 15:29:57 UTC

HMDB ID

HMDB0028745

Secondary Accession Numbers

HMDB28745

Metabolite Identification

Common Name

Asparaginyl-Gamma-glutamate

Description

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

Structure

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

HMDB0028745
     RDKit          3D
Asparaginyl-Gamma-glutamate
 34 33  0  0  0  0  0  0  0  0999 V2000
    5.8683   -0.2050   -0.1381 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8596   -0.6748    0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827   -1.6851    1.4606 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -0.0845    0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419   -0.9415    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585   -1.1303   -1.1081 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946   -0.2850    0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974   -0.0219    1.6298 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3474    0.0005   -0.6651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9309    0.6133   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    0.8371   -1.7302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148    0.9531    0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9012    1.4658    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0048    0.6049    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0597   -0.6417    1.0079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1400    0.3850   -1.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3773    1.3386   -1.9935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0242   -0.8913   -1.7619 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2411   -0.7755   -0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2395    0.7450    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3022   -0.0325    2.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4728    0.9510    0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3812   -1.9348    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651   -0.2878   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1706   -1.9236   -1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266   -0.2348   -1.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5212    0.0211    1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8167    1.6413    1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1191    1.8747    1.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705    2.4231    0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9661    1.2039    0.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9022   -1.1558    0.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9253   -0.4862    2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2926   -1.6662   -1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  9 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
 13 30  1  0
 14 31  1  0
 15 32  1  0
 15 33  1  0
 18 34  1  0
M  END


  Mrv1652304062013282D          

 18 17  0  0  0  0            999 V2000
    9.9513    4.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    4.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    4.0954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028745

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C9H16N4O5/c10-4(9(17)18)1-2-7(15)13-8(16)5(11)3-6(12)14/h4-5H,1-3,10-11H2,(H2,12,14)(H,17,18)(H,13,15,16)

> <INCHI_KEY>
CXTYHSFBRYPJED-UHFFFAOYSA-N

> <FORMULA>
C9H16N4O5

> <MOLECULAR_WEIGHT>
260.2471

> <EXACT_MASS>
260.112069642

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
24.643484984019807

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-[(2-amino-3-carbamoylpropanoyl)carbamoyl]butanoic acid

> <ALOGPS_LOGP>
-3.41

> <JCHEM_LOGP>
-5.8340862425180005

> <ALOGPS_LOGS>
-1.78

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.620338618487795

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.0155466992764905

> <JCHEM_PKA_STRONGEST_BASIC>
9.40944136170771

> <JCHEM_POLAR_SURFACE_AREA>
178.6

> <JCHEM_REFRACTIVITY>
58.38700000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.28e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-[(2-amino-3-carbamoylpropanoyl)carbamoyl]butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028745
     RDKit          3D
Asparaginyl-Gamma-glutamate
 34 33  0  0  0  0  0  0  0  0999 V2000
    5.8683   -0.2050   -0.1381 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8596   -0.6748    0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827   -1.6851    1.4606 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -0.0845    0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419   -0.9415    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585   -1.1303   -1.1081 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946   -0.2850    0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974   -0.0219    1.6298 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3474    0.0005   -0.6651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9309    0.6133   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    0.8371   -1.7302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148    0.9531    0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9012    1.4658    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0048    0.6049    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0597   -0.6417    1.0079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1400    0.3850   -1.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3773    1.3386   -1.9935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0242   -0.8913   -1.7619 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2411   -0.7755   -0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2395    0.7450    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3022   -0.0325    2.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4728    0.9510    0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3812   -1.9348    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651   -0.2878   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1706   -1.9236   -1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266   -0.2348   -1.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5212    0.0211    1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8167    1.6413    1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1191    1.8747    1.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705    2.4231    0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9661    1.2039    0.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9022   -1.1558    0.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9253   -0.4862    2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2926   -1.6662   -1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  9 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
 13 30  1  0
 14 31  1  0
 15 32  1  0
 15 33  1  0
 18 34  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  N   UNK     0      18.576   7.645   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      18.576   6.105   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.242   5.335   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.908   6.105   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.575   5.335   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      14.575   3.795   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      13.241   6.105   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      11.907   5.335   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      11.907   3.795   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      10.574   6.105   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      10.574   7.645   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       7.906   6.105   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       6.573   5.335   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       7.906   7.645   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0      19.909   5.335   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      21.243   6.105   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      19.909   3.795   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   16                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    2   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   34    0
END

COMPND    HMDB0028745
HETATM    1  N1  UNL     1       5.868  -0.205  -0.138  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.860  -0.675   0.755  1.00  0.00           C  
HETATM    3  O1  UNL     1       5.183  -1.685   1.461  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.529  -0.085   0.899  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.442  -0.941   0.281  1.00  0.00           C  
HETATM    6  N2  UNL     1       2.659  -1.130  -1.108  1.00  0.00           N  
HETATM    7  C4  UNL     1       1.095  -0.285   0.470  1.00  0.00           C  
HETATM    8  O2  UNL     1       0.697  -0.022   1.630  1.00  0.00           O  
HETATM    9  N3  UNL     1       0.347   0.000  -0.665  1.00  0.00           N  
HETATM   10  C5  UNL     1      -0.931   0.613  -0.603  1.00  0.00           C  
HETATM   11  O3  UNL     1      -1.511   0.837  -1.730  1.00  0.00           O  
HETATM   12  C6  UNL     1      -1.515   0.953   0.686  1.00  0.00           C  
HETATM   13  C7  UNL     1      -2.901   1.466   0.701  1.00  0.00           C  
HETATM   14  C8  UNL     1      -4.005   0.605   0.248  1.00  0.00           C  
HETATM   15  N4  UNL     1      -4.060  -0.642   1.008  1.00  0.00           N  
HETATM   16  C9  UNL     1      -4.140   0.385  -1.171  1.00  0.00           C  
HETATM   17  O4  UNL     1      -4.377   1.339  -1.994  1.00  0.00           O  
HETATM   18  O5  UNL     1      -4.024  -0.891  -1.762  1.00  0.00           O  
HETATM   19  H1  UNL     1       6.241  -0.775  -0.915  1.00  0.00           H  
HETATM   20  H2  UNL     1       6.239   0.745   0.001  1.00  0.00           H  
HETATM   21  H3  UNL     1       3.302  -0.033   2.001  1.00  0.00           H  
HETATM   22  H4  UNL     1       3.473   0.951   0.510  1.00  0.00           H  
HETATM   23  H5  UNL     1       2.381  -1.935   0.770  1.00  0.00           H  
HETATM   24  H6  UNL     1       2.765  -0.288  -1.678  1.00  0.00           H  
HETATM   25  H7  UNL     1       2.171  -1.924  -1.535  1.00  0.00           H  
HETATM   26  H8  UNL     1       0.727  -0.235  -1.607  1.00  0.00           H  
HETATM   27  H9  UNL     1      -1.521   0.021   1.337  1.00  0.00           H  
HETATM   28  H10 UNL     1      -0.817   1.641   1.249  1.00  0.00           H  
HETATM   29  H11 UNL     1      -3.119   1.875   1.737  1.00  0.00           H  
HETATM   30  H12 UNL     1      -2.971   2.423   0.075  1.00  0.00           H  
HETATM   31  H13 UNL     1      -4.966   1.204   0.537  1.00  0.00           H  
HETATM   32  H14 UNL     1      -4.902  -1.156   0.738  1.00  0.00           H  
HETATM   33  H15 UNL     1      -3.925  -0.486   2.017  1.00  0.00           H  
HETATM   34  H16 UNL     1      -4.293  -1.666  -1.148  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3    3    4
CONECT    4    5   21   22
CONECT    5    6    7   23
CONECT    6   24   25
CONECT    7    8    8    9
CONECT    9   10   26
CONECT   10   11   11   12
CONECT   12   13   27   28
CONECT   13   14   29   30
CONECT   14   15   16   31
CONECT   15   32   33
CONECT   16   17   17   18
CONECT   18   34
END

HMDB0028745
     RDKit          3D
Asparaginyl-Gamma-glutamate
 34 33  0  0  0  0  0  0  0  0999 V2000
    5.8683   -0.2050   -0.1381 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8596   -0.6748    0.7547 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1827   -1.6851    1.4606 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5285   -0.0845    0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4419   -0.9415    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6585   -1.1303   -1.1081 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0946   -0.2850    0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974   -0.0219    1.6298 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3474    0.0005   -0.6651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9309    0.6133   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    0.8371   -1.7302 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5148    0.9531    0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9012    1.4658    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0048    0.6049    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0597   -0.6417    1.0079 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1400    0.3850   -1.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3773    1.3386   -1.9935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0242   -0.8913   -1.7619 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2411   -0.7755   -0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2395    0.7450    0.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3022   -0.0325    2.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4728    0.9510    0.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3812   -1.9348    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7651   -0.2878   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1706   -1.9236   -1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266   -0.2348   -1.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5212    0.0211    1.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8167    1.6413    1.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1191    1.8747    1.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705    2.4231    0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9661    1.2039    0.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9022   -1.1558    0.7381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9253   -0.4862    2.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2926   -1.6662   -1.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
  1 19  1  0
  1 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  9 26  1  0
 12 27  1  0
 12 28  1  0
 13 29  1  0
 13 30  1  0
 14 31  1  0
 15 32  1  0
 15 33  1  0
 18 34  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Asparaginyl-g-glutamate	Generator
Asparaginyl-g-glutamic acid	Generator
Asparaginyl-gamma-glutamic acid	Generator
Asparaginyl-γ-glutamate	Generator
Asparaginyl-γ-glutamic acid	Generator
Asn-gglu	HMDB
Asparagine gamma-glutamate dipeptide	HMDB
Asparagine-gamma-glutamate dipeptide	HMDB
Asparaginylgamma-glutamate	HMDB
L-Asparaginyl-L-gamma-glutamate	HMDB
N-GE dipeptide	HMDB
NGE dipeptide	HMDB
2-Amino-4-{[2-amino-3-(C-hydroxycarbonimidoyl)propanoyl]-C-hydroxycarbonimidoyl}butanoate	HMDB

Chemical Formula

C₉H₁₆N₄O₅

Average Molecular Weight

260.2471

Monoisotopic Molecular Weight

260.112069642

IUPAC Name

2-amino-4-[(2-amino-3-carbamoylpropanoyl)carbamoyl]butanoic acid

Traditional Name

2-amino-4-[(2-amino-3-carbamoylpropanoyl)carbamoyl]butanoic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C9H16N4O5/c10-4(9(17)18)1-2-7(15)13-8(16)5(11)3-6(12)14/h4-5H,1-3,10-11H2,(H2,12,14)(H,17,18)(H,13,15,16)

InChI Key

CXTYHSFBRYPJED-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glutamine and derivatives. Glutamine and derivatives are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Glutamine and derivatives

Alternative Parents

Substituents

Glutamine or derivatives
Asparagine or derivatives
Alpha-amino acid amide
Alpha-amino acid
Fatty acyl
Fatty acid
Fatty amide
N-acyl-amine
Carboxylic acid imide
Dicarboximide
Carboxylic acid imide, n-unsubstituted
Carboxamide group
Amino acid
Primary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Primary aliphatic amine
Primary amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Amine
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0028745)

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	-5.91	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.28 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-5.8	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	2.02	ChemAxon
pKa (Strongest Basic)	9.41	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	178.6 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	58.39 m³·mol⁻¹	ChemAxon
Polarizability	24.64 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	160.925	31661259
DarkChem	[M-H]-	156.057	31661259
DeepCCS	[M+H]+	159.52	30932474
DeepCCS	[M-H]-	157.162	30932474
DeepCCS	[M-2H]-	190.048	30932474
DeepCCS	[M+Na]+	165.613	30932474
AllCCS	[M+H]+	155.0	32859911
AllCCS	[M+H-H2O]+	151.9	32859911
AllCCS	[M+NH4]+	157.9	32859911
AllCCS	[M+Na]+	158.7	32859911
AllCCS	[M-H]-	156.4	32859911
AllCCS	[M+Na-2H]-	156.6	32859911
AllCCS	[M+HCOO]-	156.9	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	1.29 minutes	32390414
Predicted by Siyang on May 30, 2022	9.2251 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	9.35 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	438.9 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	379.5 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	241.7 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	42.1 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	162.6 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	57.1 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	296.9 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	243.8 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	1005.6 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	546.6 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	46.8 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	649.2 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	181.8 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	261.7 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	766.0 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	729.6 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	459.0 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Asparaginyl-Gamma-glutamate	NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(O)=O	3161.7	Standard polar	33892256
Asparaginyl-Gamma-glutamate	NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(O)=O	2148.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate	NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(O)=O	2935.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Asparaginyl-Gamma-glutamate,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC(N)=O	2546.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,1TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(=O)O	2619.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,1TMS,isomer #3	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(N)C(=O)O	2601.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,1TMS,isomer #4	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N)C(=O)O	2636.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,1TMS,isomer #5	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC(N)=O	2528.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(=O)O[Si](C)(C)C	2633.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(=O)O[Si](C)(C)C	2463.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #10	C[Si](C)(C)N(C(CC(N)=O)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	2709.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #10	C[Si](C)(C)N(C(CC(N)=O)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	2601.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #11	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2602.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #11	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2508.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #12	C[Si](C)(C)N(C(=O)CC(N)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	2746.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #12	C[Si](C)(C)N(C(=O)CC(N)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C	2589.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #13	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2596.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #13	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2556.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #2	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2609.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #2	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2489.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #3	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2651.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #3	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2538.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C	2507.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C	2444.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N[Si](C)(C)C)C(=O)O	2693.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N[Si](C)(C)C)C(=O)O	2522.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #6	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O	2714.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #6	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O	2580.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #7	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC(N)=O)C(=O)O)[Si](C)(C)C	2772.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #7	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC(N)=O)C(=O)O)[Si](C)(C)C	2563.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #8	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C)C(=O)O	2607.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #8	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C)C(=O)O	2508.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #9	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	2674.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TMS,isomer #9	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	2610.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #1	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2691.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #1	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2563.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #10	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O	2772.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #10	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O	2671.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #11	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2823.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #11	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2643.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2654.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2590.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #13	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2789.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #13	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2675.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2805.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2661.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #15	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2645.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #15	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2626.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #16	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2840.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #16	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2693.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC(N)=O	2752.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC(N)=O	2637.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #18	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	2762.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #18	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	2696.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #19	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2772.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #19	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2745.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #2	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2715.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #2	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2601.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #20	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2624.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #20	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2659.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #21	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2728.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #21	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2636.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #22	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2676.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #22	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2663.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2789.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2567.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2570.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #4	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2543.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #5	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2697.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #5	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2644.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2732.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2629.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #7	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2569.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #7	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2542.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2749.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2632.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2573.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TMS,isomer #9	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2570.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2745.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #1	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2684.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #10	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2780.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #10	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2760.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #11	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2591.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #11	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2672.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #12	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2716.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #12	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2667.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2647.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2683.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2819.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #14	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2733.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #15	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2840.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #15	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2783.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #16	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2675.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #16	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2695.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #17	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2860.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #17	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2767.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #18	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2962.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #18	C[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2787.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #19	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2799.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #19	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2713.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2792.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2688.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #20	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2780.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #20	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2702.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #21	C[Si](C)(C)N(C(=O)CC(N)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2931.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #21	C[Si](C)(C)N(C(=O)CC(N)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2781.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #22	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2728.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #22	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2726.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #23	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2796.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #23	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2750.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #24	C[Si](C)(C)N(C(=O)CC(C(=O)NC(=O)CCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2892.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #24	C[Si](C)(C)N(C(=O)CC(C(=O)NC(=O)CCC(N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2838.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #25	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2697.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #25	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C	2763.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #26	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2760.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #26	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2784.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2587.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #3	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2618.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #4	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2820.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #4	C[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2645.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2770.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #5	C[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2688.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #6	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2575.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #6	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2648.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2826.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2688.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2742.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2658.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #9	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2756.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TMS,isomer #9	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C	2723.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #1	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2778.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #1	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2758.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #10	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2753.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #10	C[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2749.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #11	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2872.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #11	C[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2838.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #12	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2654.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #12	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2768.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #13	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2732.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #13	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2784.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #14	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2927.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #14	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2838.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #15	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2727.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #15	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2792.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #16	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2945.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #16	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2851.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #17	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2776.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #17	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2805.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #18	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2993.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #18	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2879.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #19	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2782.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #19	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2812.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2801.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #2	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2794.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #20	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2958.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #20	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C	2822.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #21	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2907.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #21	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C	2842.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #22	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2885.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #22	C[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2886.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #3	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2596.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #3	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2729.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #4	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2829.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #4	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2754.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2948.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #5	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2776.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #6	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2728.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #6	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2726.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #7	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2748.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #7	C[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2718.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2908.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2778.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #9	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2655.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TMS,isomer #9	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2749.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2888.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #1	C[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2875.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #10	C[Si](C)(C)N(C(=O)CC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3085.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #10	C[Si](C)(C)N(C(=O)CC(C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2955.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #11	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2905.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #11	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2910.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2895.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #12	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2903.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #13	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2960.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #13	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2919.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2678.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2825.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #3	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2893.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #3	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2836.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #4	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2733.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #4	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2837.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #5	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2956.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #5	C[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2870.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #6	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2761.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #6	C[Si](C)(C)NC(=O)CC(N[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2818.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2945.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #7	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2834.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2897.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #8	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2852.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #9	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2866.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,6TMS,isomer #9	C[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2887.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3073.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2956.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,7TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2861.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,7TMS,isomer #2	C[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2936.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,7TMS,isomer #3	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2891.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,7TMS,isomer #3	C[Si](C)(C)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2920.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,7TMS,isomer #4	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2939.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,7TMS,isomer #4	C[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2932.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,7TMS,isomer #5	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3105.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,7TMS,isomer #5	C[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3022.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,8TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3117.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,8TMS,isomer #1	C[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3040.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC(N)=O	2818.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(=O)O	2864.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(N)C(=O)O	2841.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N)C(=O)O	2916.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC(N)=O	2792.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3138.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2858.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(CC(N)=O)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3185.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(CC(N)=O)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	2961.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3073.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	2892.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CC(N)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3223.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)CC(N)C(=O)NC(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	2970.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3078.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	2924.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3091.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	2905.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3163.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	2934.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C	3004.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C	2841.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O	3169.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O	2930.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3230.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O	2968.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3235.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(N)CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2908.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C)C(=O)O	3085.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C)C(=O)O	2882.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	3176.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	2995.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3350.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3091.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3440.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O	3157.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3481.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3137.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3332.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3093.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3460.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3164.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3507.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3178.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3340.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3121.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3524.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3169.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC(N)=O	3394.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC(N)=O	3108.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	3435.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O	3218.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3460.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3229.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3401.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3117.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3311.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3153.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3384.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3146.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3329.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3172.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3463.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3106.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3243.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3066.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3373.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3154.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3401.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3139.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3253.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3078.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3413.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3156.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3249.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3095.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3615.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3286.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N)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	3672.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N)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	3363.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3469.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3304.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3581.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3320.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3518.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3328.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3726.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3359.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3733.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3375.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3544.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3301.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3741.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3339.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3767.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3369.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(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	3633.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(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	3320.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3664.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3329.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3634.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3339.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)CC(N)C(=O)NC(=O)CCC(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	3773.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)CC(N)C(=O)NC(=O)CCC(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	3385.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3596.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3352.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(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	3628.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(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	3333.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)CC(C(=O)NC(=O)CCC(N)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	3727.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N(C(=O)CC(C(=O)NC(=O)CCC(N)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	3443.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3578.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C	3395.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N)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	3619.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N)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	3398.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3475.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3269.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(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	3690.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)NC(=O)CCC(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	3314.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3677.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3331.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(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	3464.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(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	3285.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3722.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)NC(=O)CCC(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	3333.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3612.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)N(C(=O)C(N)CC(N)=O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3310.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3638.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C	3354.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3879.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3495.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C	3822.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(N)C(=O)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C	3503.0	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3949.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3573.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3741.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3536.9	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N)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	3790.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N)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	3541.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4002.7	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3548.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3794.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3537.7	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3994.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CCC(=O)NC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3584.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3848.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3541.3	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(C(=O)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	4036.9	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(C(=O)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	3559.8	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(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	3843.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(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	3515.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3908.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3509.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3946.8	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3552.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3898.2	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3562.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3887.0	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C(=O)CCC(N)C(=O)O)C(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3626.2	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(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	3654.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(=O)CCC(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	3453.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(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	3934.6	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC(N[Si](C)(C)C(C)(C)C)C(=O)NC(=O)CCC(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	3480.5	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC(N)=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	3996.3	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(CC(N)=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	3529.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3811.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3499.6	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C	3829.5	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC(N)=O)C(=O)N(C(=O)CCC(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)[Si](C)(C)C(C)(C)C	3491.4	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3990.1	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CCC(=O)NC(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3542.1	Standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3749.4	Semi standard non polar	33892256
Asparaginyl-Gamma-glutamate,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CCC(=O)N(C(=O)C(N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3510.4	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Asparaginyl-Gamma-glutamate GC-MS (Non-derivatized) - 70eV, Positive	splash10-000i-9220000000-c3102c88122c1e1ecae0	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Asparaginyl-Gamma-glutamate GC-MS (1 TMS) - 70eV, Positive	splash10-014r-9260000000-9f307b7534c35a3af88f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Asparaginyl-Gamma-glutamate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 10V, Positive-QTOF	splash10-015c-3790000000-8f6cf762ce572a67673e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 20V, Positive-QTOF	splash10-0fz1-7920000000-0ef9cc6ab940c7455309	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 40V, Positive-QTOF	splash10-00dv-9100000000-6fd9d6bfcadd85b7692f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 10V, Negative-QTOF	splash10-0a4l-0290000000-164d049a3acf14669fc7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 20V, Negative-QTOF	splash10-0006-6950000000-b90598026c91677d2ba2	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 40V, Negative-QTOF	splash10-0006-9400000000-7c352ff54b2e345702b8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 10V, Positive-QTOF	splash10-03di-0490000000-0e9380e36a5a062fd338	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 20V, Positive-QTOF	splash10-0159-2960000000-d71231fab1065c58bb23	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 40V, Positive-QTOF	splash10-0api-9600000000-b812c1956ab3954c59dc	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 10V, Negative-QTOF	splash10-0a4l-0390000000-7f0e2a5e22449352c846	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 20V, Negative-QTOF	splash10-0037-5920000000-417f3cb9110867ea3c42	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Asparaginyl-Gamma-glutamate 40V, Negative-QTOF	splash10-0006-9200000000-feba5f10ab702f8c1839	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB111801

KNApSAcK ID

Not Available

Chemspider ID

35032790

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131750734

PDB ID

Not Available

ChEBI ID

174401

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for Asparaginyl-Gamma-glutamate (HMDB0028745)

MOL for HMDB0028745 (Asparaginyl-Gamma-glutamate)

3D MOL for HMDB0028745 (Asparaginyl-Gamma-glutamate)

3D SDF for HMDB0028745 (Asparaginyl-Gamma-glutamate)

3D-SDF for HMDB0028745 (Asparaginyl-Gamma-glutamate)

PDB for HMDB0028745 (Asparaginyl-Gamma-glutamate)

3D PDB for HMDB0028745 (Asparaginyl-Gamma-glutamate)

SMILES for HMDB0028745 (Asparaginyl-Gamma-glutamate)

INCHI for HMDB0028745 (Asparaginyl-Gamma-glutamate)

Structure for HMDB0028745 (Asparaginyl-Gamma-glutamate)

3D Structure for HMDB0028745 (Asparaginyl-Gamma-glutamate)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra