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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:02:35 UTC

Update Date

2021-09-14 15:36:53 UTC

HMDB ID

HMDB0028814

Secondary Accession Numbers

HMDB28814

Metabolite Identification

Common Name

Glutamylasparagine

Description

Glutamylasparagine is a dipeptide composed of glutamate and asparagine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylasparagine 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.

Structure

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

HMDB0028814
     RDKit          3D
Glutamylasparagine
 33 32  0  0  0  0  0  0  0  0999 V2000
   -3.9595    0.3046    2.6583 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774    0.7102    1.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6385    1.8484    1.5911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0318   -0.2157    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1741    0.3223   -0.6869 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8316    0.6314   -0.2992 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945    0.0382   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0913   -0.7846   -1.8596 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.3255   -0.5657 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8288    1.2715    0.4999 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3729   -0.9869   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139   -0.7847    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   -2.0883    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7839   -3.1346    0.2923 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7810   -2.2041    0.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8496    1.5332   -1.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2734    2.6354   -1.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1690    1.3977   -1.6432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    0.2197    2.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4964    0.0904    3.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503   -1.1948    0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0374   -0.4032    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338   -0.4109   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657    1.3113    0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1782    0.7697   -1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5733    2.2171    0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4283    0.9600    1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896   -1.5914   -1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912   -1.5268    0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8286   -0.1118    0.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331   -0.2616   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3723   -2.9927    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320    2.1056   -1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  5 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  6
  6 24  1  0
  9 25  1  6
 10 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 12 31  1  0
 15 32  1  0
 18 33  1  0
M  END

  Mrv1652304062013382D          

 18 17  0  0  0  0            999 V2000
 2501.4290 2500.0010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2500.7150 2499.5877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.0010 2500.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.2870 2499.5877    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2498.5730 2500.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.8590 2499.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.1429 2500.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.4289 2499.5877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2497.1429 2500.8255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2499.2870 2498.7633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2500.0010 2500.8255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1430 2499.5877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.8570 2500.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.5710 2499.5877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2502.8570 2500.8255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2501.4290 2500.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2502.1430 2501.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2500.7150 2501.2366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  2  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  1  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028814

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C9H15N3O6/c10-4(1-2-7(14)15)8(16)12-5(9(17)18)3-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)/t4-,5-/m0/s1

> <INCHI_KEY>
TUTIHHSZKFBMHM-WHFBIAKZSA-N

> <FORMULA>
C9H15N3O6

> <MOLECULAR_WEIGHT>
261.234

> <EXACT_MASS>
261.096085215

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
33

> <JCHEM_AVERAGE_POLARIZABILITY>
23.991657145674033

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

> <ALOGPS_LOGP>
-3.59

> <JCHEM_LOGP>
-5.4760224311547825

> <ALOGPS_LOGS>
-1.58

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.8570218691709113

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.1024192749701145

> <JCHEM_PKA_STRONGEST_BASIC>
8.449692066971743

> <JCHEM_POLAR_SURFACE_AREA>
172.80999999999997

> <JCHEM_REFRACTIVITY>
56.44270000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.82e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0028814
     RDKit          3D
Glutamylasparagine
 33 32  0  0  0  0  0  0  0  0999 V2000
   -3.9595    0.3046    2.6583 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774    0.7102    1.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6385    1.8484    1.5911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0318   -0.2157    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1741    0.3223   -0.6869 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8316    0.6314   -0.2992 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945    0.0382   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0913   -0.7846   -1.8596 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.3255   -0.5657 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8288    1.2715    0.4999 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3729   -0.9869   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139   -0.7847    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   -2.0883    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7839   -3.1346    0.2923 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7810   -2.2041    0.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8496    1.5332   -1.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2734    2.6354   -1.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1690    1.3977   -1.6432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    0.2197    2.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4964    0.0904    3.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503   -1.1948    0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0374   -0.4032    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338   -0.4109   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657    1.3113    0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1782    0.7697   -1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5733    2.2171    0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4283    0.9600    1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896   -1.5914   -1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912   -1.5268    0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8286   -0.1118    0.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331   -0.2616   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3723   -2.9927    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320    2.1056   -1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  5 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  6
  6 24  1  0
  9 25  1  6
 10 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 12 31  1  0
 15 32  1  0
 18 33  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  C   UNK     0    4669.3344666.669   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4668.0014665.897   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4666.6694666.669   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    4665.3364665.897   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    4664.0034666.669   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4662.6704665.897   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4661.3334666.669   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0    4660.0014665.897   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    4661.3334668.208   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0    4665.3364664.358   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0    4666.6694668.208   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    4670.6674665.897   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    4672.0004666.669   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0    4673.3334665.897   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0    4672.0004668.208   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0    4669.3344668.208   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0    4670.6674668.975   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0    4668.0014668.975   0.000  0.00  0.00           O+0
CONECT    1    2   12   16                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5   10                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    4                                                            
CONECT   11    3                                                            
CONECT   12    1   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    1   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   34    0
END

COMPND    HMDB0028814
HETATM    1  N1  UNL     1      -3.959   0.305   2.658  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.177   0.710   1.557  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.638   1.848   1.591  1.00  0.00           O  
HETATM    4  C2  UNL     1      -3.032  -0.216   0.425  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.174   0.322  -0.687  1.00  0.00           C  
HETATM    6  N2  UNL     1      -0.832   0.631  -0.299  1.00  0.00           N  
HETATM    7  C4  UNL     1       0.295   0.038  -0.930  1.00  0.00           C  
HETATM    8  O2  UNL     1       0.091  -0.785  -1.860  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.685   0.325  -0.566  1.00  0.00           C  
HETATM   10  N3  UNL     1       1.829   1.272   0.500  1.00  0.00           N  
HETATM   11  C6  UNL     1       2.373  -0.987  -0.271  1.00  0.00           C  
HETATM   12  C7  UNL     1       3.814  -0.785   0.115  1.00  0.00           C  
HETATM   13  C8  UNL     1       4.458  -2.088   0.397  1.00  0.00           C  
HETATM   14  O3  UNL     1       3.784  -3.135   0.292  1.00  0.00           O  
HETATM   15  O4  UNL     1       5.781  -2.204   0.775  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.850   1.533  -1.220  1.00  0.00           C  
HETATM   17  O5  UNL     1      -2.273   2.635  -1.294  1.00  0.00           O  
HETATM   18  O6  UNL     1      -4.169   1.398  -1.643  1.00  0.00           O  
HETATM   19  H1  UNL     1      -4.983   0.220   2.580  1.00  0.00           H  
HETATM   20  H2  UNL     1      -3.496   0.090   3.555  1.00  0.00           H  
HETATM   21  H3  UNL     1      -2.650  -1.195   0.773  1.00  0.00           H  
HETATM   22  H4  UNL     1      -4.037  -0.403   0.001  1.00  0.00           H  
HETATM   23  H5  UNL     1      -2.134  -0.411  -1.511  1.00  0.00           H  
HETATM   24  H6  UNL     1      -0.666   1.311   0.468  1.00  0.00           H  
HETATM   25  H7  UNL     1       2.178   0.770  -1.467  1.00  0.00           H  
HETATM   26  H8  UNL     1       1.573   2.217   0.204  1.00  0.00           H  
HETATM   27  H9  UNL     1       1.428   0.960   1.403  1.00  0.00           H  
HETATM   28  H10 UNL     1       2.290  -1.591  -1.221  1.00  0.00           H  
HETATM   29  H11 UNL     1       1.791  -1.527   0.477  1.00  0.00           H  
HETATM   30  H12 UNL     1       3.829  -0.112   0.995  1.00  0.00           H  
HETATM   31  H13 UNL     1       4.333  -0.262  -0.714  1.00  0.00           H  
HETATM   32  H14 UNL     1       6.372  -2.993   0.539  1.00  0.00           H  
HETATM   33  H15 UNL     1      -4.832   2.106  -1.354  1.00  0.00           H  
CONECT    1    2   19   20
CONECT    2    3    3    4
CONECT    4    5   21   22
CONECT    5    6   16   23
CONECT    6    7   24
CONECT    7    8    8    9
CONECT    9   10   11   25
CONECT   10   26   27
CONECT   11   12   28   29
CONECT   12   13   30   31
CONECT   13   14   14   15
CONECT   15   32
CONECT   16   17   17   18
CONECT   18   33
END

HMDB0028814
     RDKit          3D
Glutamylasparagine
 33 32  0  0  0  0  0  0  0  0999 V2000
   -3.9595    0.3046    2.6583 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1774    0.7102    1.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6385    1.8484    1.5911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0318   -0.2157    0.4255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1741    0.3223   -0.6869 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8316    0.6314   -0.2992 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945    0.0382   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0913   -0.7846   -1.8596 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.3255   -0.5657 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8288    1.2715    0.4999 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3729   -0.9869   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139   -0.7847    0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   -2.0883    0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7839   -3.1346    0.2923 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7810   -2.2041    0.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8496    1.5332   -1.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2734    2.6354   -1.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1690    1.3977   -1.6432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9833    0.2197    2.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4964    0.0904    3.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503   -1.1948    0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0374   -0.4032    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1338   -0.4109   -1.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6657    1.3113    0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1782    0.7697   -1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5733    2.2171    0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4283    0.9600    1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896   -1.5914   -1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7912   -1.5268    0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8286   -0.1118    0.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331   -0.2616   -0.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3723   -2.9927    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8320    2.1056   -1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  5 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  6
  6 24  1  0
  9 25  1  6
 10 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 12 31  1  0
 15 32  1  0
 18 33  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
e-N Dipeptide	HMDB
EN dipeptide	HMDB
Glu-asn	HMDB
Glutamate asparagine dipeptide	HMDB
Glutamate-asparagine dipeptide	HMDB
L-Glutamyl-L-asparagine	HMDB
Α-glu-asn	HMDB
Α-L-glu-L-asn	HMDB
Α-glutamylasparagine	HMDB
Α-L-glutamyl-L-asparagine	HMDB
L-Α-glutamyl-L-asparagine	HMDB
N2-Α-glutamylasparagine	HMDB
N2-Α-L-glutamyl-L-asparagine	HMDB
N2-L-Α-glutamylasparagine	HMDB
N2-L-Α-glutamyl-L-asparagine	HMDB
alpha-Glu-asn	HMDB
alpha-L-Glu-L-asn	HMDB
alpha-Glutamylasparagine	HMDB
alpha-L-Glutamyl-L-asparagine	HMDB
L-alpha-Glutamyl-L-asparagine	HMDB
N2-alpha-Glutamylasparagine	HMDB
N2-alpha-L-Glutamyl-L-asparagine	HMDB
N2-L-alpha-Glutamylasparagine	HMDB
N2-L-alpha-Glutamyl-L-asparagine	HMDB
L-Glu-L-asn	HMDB
N2-Glutamylasparagine	HMDB
N2-L-Glutamyl-L-asparagine	HMDB
Glutamyl-asparagine	HMDB
Glutamic acid asparagine dipeptide	HMDB
Glutamic acid-asparagine dipeptide	HMDB
(4S)-4-Amino-4-{[(1S)-1-carboxy-2-(C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}butanoate	HMDB
Glutamylasparagine	HMDB

Chemical Formula

C₉H₁₅N₃O₆

Average Molecular Weight

261.234

Monoisotopic Molecular Weight

261.096085215

IUPAC Name

(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

Traditional Name

(4S)-4-amino-4-{[(1S)-2-carbamoyl-1-carboxyethyl]carbamoyl}butanoic acid

CAS Registry Number

36314-37-1

SMILES

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

InChI Identifier

InChI=1S/C9H15N3O6/c10-4(1-2-7(14)15)8(16)12-5(9(17)18)3-6(11)13/h4-5H,1-3,10H2,(H2,11,13)(H,12,16)(H,14,15)(H,17,18)/t4-,5-/m0/s1

InChI Key

TUTIHHSZKFBMHM-WHFBIAKZSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Glutamic acid or derivatives
Asparagine or derivatives
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Amino fatty acid
Dicarboxylic acid or derivatives
Fatty amide
Fatty acyl
Fatty acid
N-acyl-amine
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxylic acid
Primary aliphatic amine
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Carbonyl group
Organic oxide
Amine
Primary amine
Organonitrogen compound
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0028814)

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	-5.48	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	10.1 g/L	ALOGPS
logP	-3.6	ALOGPS
logP	-5.5	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	3.1	ChemAxon
pKa (Strongest Basic)	8.45	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	172.81 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	56.44 m³·mol⁻¹	ChemAxon
Polarizability	23.99 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	160.166	30932474
DeepCCS	[M-H]-	157.808	30932474
DeepCCS	[M-2H]-	190.694	30932474
DeepCCS	[M+Na]+	166.259	30932474
AllCCS	[M+H]+	155.8	32859911
AllCCS	[M+H-H2O]+	152.7	32859911
AllCCS	[M+NH4]+	158.7	32859911
AllCCS	[M+Na]+	159.5	32859911
AllCCS	[M-H]-	155.1	32859911
AllCCS	[M+Na-2H]-	155.4	32859911
AllCCS	[M+HCOO]-	155.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glutamylasparagine	N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O	3395.1	Standard polar	33892256
Glutamylasparagine	N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O	2153.0	Standard non polar	33892256
Glutamylasparagine	N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O	2744.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glutamylasparagine,1TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O	2445.6	Semi standard non polar	33892256
Glutamylasparagine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O	2423.0	Semi standard non polar	33892256
Glutamylasparagine,1TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O	2483.7	Semi standard non polar	33892256
Glutamylasparagine,1TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O	2498.9	Semi standard non polar	33892256
Glutamylasparagine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC(N)=O)C(=O)O	2450.5	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2451.2	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2495.0	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #11	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)[Si](C)(C)C	2648.2	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2499.1	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2505.6	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O	2510.6	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2457.2	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O[Si](C)(C)C	2501.0	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2494.5	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2457.6	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O	2556.6	Semi standard non polar	33892256
Glutamylasparagine,2TMS,isomer #9	C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2611.8	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2524.0	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C	2435.6	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	2625.7	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	2501.9	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #11	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2486.4	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #11	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2492.7	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2629.6	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2510.0	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2512.3	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2441.5	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2680.1	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2600.2	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2543.5	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #15	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2603.9	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2673.0	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #16	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2643.8	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2628.0	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O	2527.2	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2609.6	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2572.8	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2519.2	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2455.5	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2444.6	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #3	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2381.2	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2562.3	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #4	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	2578.2	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2636.2	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2541.2	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2508.6	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C	2472.0	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2631.1	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2546.2	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2480.0	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2540.7	Standard non polar	33892256
Glutamylasparagine,3TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2567.8	Semi standard non polar	33892256
Glutamylasparagine,3TMS,isomer #9	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2539.0	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2574.3	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #1	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2564.3	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2595.7	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #10	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2617.8	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2659.0	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2612.3	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2541.7	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #12	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C	2589.1	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2691.1	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #13	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2637.6	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2596.1	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C	2586.9	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2661.1	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2555.6	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #16	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2811.6	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #16	C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2719.0	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2648.8	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #17	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2673.4	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #18	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2666.2	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #18	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2688.2	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2645.0	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2550.6	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2492.5	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #3	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2473.7	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2622.8	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2553.1	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2468.4	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #5	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2520.4	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2657.3	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #6	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2640.3	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #7	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2527.9	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #7	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2617.4	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2678.7	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2672.6	Standard non polar	33892256
Glutamylasparagine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2662.2	Semi standard non polar	33892256
Glutamylasparagine,4TMS,isomer #9	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2582.2	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2627.5	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #1	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2640.5	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2639.4	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #10	C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2673.8	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #11	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2677.0	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #11	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2683.2	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2804.5	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #12	C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2775.5	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2501.0	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #2	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	2610.1	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2658.6	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2669.3	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2691.3	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2591.2	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2592.1	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #5	C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2622.4	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2811.1	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #6	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2744.8	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2634.7	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #7	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2695.0	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2675.7	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #8	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2710.4	Standard non polar	33892256
Glutamylasparagine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2809.6	Semi standard non polar	33892256
Glutamylasparagine,5TMS,isomer #9	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2719.4	Standard non polar	33892256
Glutamylasparagine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2789.7	Semi standard non polar	33892256
Glutamylasparagine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2752.9	Standard non polar	33892256
Glutamylasparagine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2629.5	Semi standard non polar	33892256
Glutamylasparagine,6TMS,isomer #2	C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2701.1	Standard non polar	33892256
Glutamylasparagine,6TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2687.6	Semi standard non polar	33892256
Glutamylasparagine,6TMS,isomer #3	C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2710.8	Standard non polar	33892256
Glutamylasparagine,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2820.3	Semi standard non polar	33892256
Glutamylasparagine,6TMS,isomer #4	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2801.3	Standard non polar	33892256
Glutamylasparagine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2821.4	Semi standard non polar	33892256
Glutamylasparagine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2779.1	Standard non polar	33892256
Glutamylasparagine,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2863.3	Semi standard non polar	33892256
Glutamylasparagine,7TMS,isomer #1	C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2809.5	Standard non polar	33892256
Glutamylasparagine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O	2705.3	Semi standard non polar	33892256
Glutamylasparagine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CCC(=O)O	2684.5	Semi standard non polar	33892256
Glutamylasparagine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O	2735.2	Semi standard non polar	33892256
Glutamylasparagine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O	2777.3	Semi standard non polar	33892256
Glutamylasparagine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC(N)=O)C(=O)O	2727.7	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2944.8	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2986.5	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	3097.5	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	2991.8	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O	2990.5	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	3006.2	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2961.8	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	2983.8	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2965.4	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	2946.8	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O	3046.2	Semi standard non polar	33892256
Glutamylasparagine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3081.3	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3198.3	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	2999.8	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	3278.7	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@@H](N)CCC(=O)O	3022.2	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3181.0	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	2986.9	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3302.0	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3015.9	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3199.0	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2966.1	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3347.5	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3095.9	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3236.5	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3030.0	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3361.3	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3094.3	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3301.6	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O	3018.0	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3253.3	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3051.0	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3202.5	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2992.5	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3149.0	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2951.3	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3238.0	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	3061.9	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3343.7	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3054.6	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3221.1	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	2985.4	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3319.8	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3074.0	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3207.0	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3018.8	Standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3228.1	Semi standard non polar	33892256
Glutamylasparagine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3011.1	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3434.9	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3190.3	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3487.2	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3250.9	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3527.8	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3233.1	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3421.5	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3183.6	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)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	3578.5	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)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	3232.7	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3466.6	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C	3233.2	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3534.7	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3208.4	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CCC(=O)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	3642.3	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CCC(=O)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	3314.1	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3513.8	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3259.5	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3558.0	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3259.6	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3552.6	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3214.7	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3403.8	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3163.3	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3495.3	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3223.6	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3380.2	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3183.4	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3542.6	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3272.6	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3433.9	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3207.1	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[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	3600.0	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[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	3271.9	Standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3557.7	Semi standard non polar	33892256
Glutamylasparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3225.6	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3718.7	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3404.7	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3711.7	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3418.1	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3775.5	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3420.3	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3841.3	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3490.8	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3600.9	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3358.9	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3796.9	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3403.2	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3785.4	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3392.2	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3684.6	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3413.9	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3894.0	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3484.7	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3726.9	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3431.6	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=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	3786.0	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=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	3435.4	Standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3873.5	Semi standard non polar	33892256
Glutamylasparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3458.6	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glutamylasparagine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glutamylasparagine 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 - Glutamylasparagine 10V, Positive-QTOF	splash10-002g-0390000000-1d2478f8a798f2731fca	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 20V, Positive-QTOF	splash10-0uy1-7950000000-3fdd2904fbe91899f508	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 40V, Positive-QTOF	splash10-0a4i-9100000000-006d0526a364c9d6daf7	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 10V, Negative-QTOF	splash10-03dl-0190000000-64bfa369b849ac589be3	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 20V, Negative-QTOF	splash10-0006-6970000000-1a18c6e75bafde7cfa85	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 40V, Negative-QTOF	splash10-0006-9300000000-6616098654e9c42d545e	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 10V, Positive-QTOF	splash10-03e9-0690000000-e2c15357f5a1ac2cc548	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 20V, Positive-QTOF	splash10-0fsi-3920000000-deb14ebe464d11c2e2f7	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 40V, Positive-QTOF	splash10-0a4i-9200000000-2b850b678226d2d31179	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 10V, Negative-QTOF	splash10-03dl-0980000000-e1a07787d431cac427c1	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 20V, Negative-QTOF	splash10-01qi-4900000000-7ea17b6e653102a3054b	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glutamylasparagine 40V, Negative-QTOF	splash10-0006-9200000000-38f70a560ed90addb0ff	2021-10-11	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

FDB111859

KNApSAcK ID

Not Available

Chemspider ID

18545269

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13655621

PDB ID

Not Available

ChEBI ID

Not Available

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 Glutamylasparagine (HMDB0028814)

MOL for HMDB0028814 (Glutamylasparagine)

3D MOL for HMDB0028814 (Glutamylasparagine)

3D SDF for HMDB0028814 (Glutamylasparagine)

3D-SDF for HMDB0028814 (Glutamylasparagine)

PDB for HMDB0028814 (Glutamylasparagine)

3D PDB for HMDB0028814 (Glutamylasparagine)

SMILES for HMDB0028814 (Glutamylasparagine)

INCHI for HMDB0028814 (Glutamylasparagine)

Structure for HMDB0028814 (Glutamylasparagine)

3D Structure for HMDB0028814 (Glutamylasparagine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra