Hmdb loader

Showing metabocard for Asparaginylasparagine (HMDB0028726)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:15 UTC
Update Date2021-09-14 15:36:50 UTC
HMDB IDHMDB0028726
Secondary Accession Numbers
  • HMDB28726
Metabolite Identification
Common NameAsparaginylasparagine
DescriptionAsparaginylasparagine, also known as N-N or L-asn-L-asn, 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. Asparaginylasparagine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make asparaginylasparagine a potential biomarker for the consumption of these foods. Asparaginylasparagine is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review very few articles have been published on Asparaginylasparagine.
Structure
Data?1582753331
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0028726 (Asparaginylasparagine)


  Mrv1652304062013252D          

 17 16  0  0  0  0            999 V2000
 2498.1130 2497.1292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2498.1130 2497.9534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8250 2498.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5387 2497.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8250 2499.1891    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2498.1130 2499.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.3989 2499.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.6544 2499.6186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2497.3989 2498.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5387 2499.6023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2497.3970 2496.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.6831 2497.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2495.9692 2496.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.6831 2497.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8269 2496.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5408 2497.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8269 2495.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  5 10  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
Download

3D MOL for HMDB0028726 (Asparaginylasparagine)

HMDB0028726
     RDKit          3D
Asparaginylasparagine
 31 30  0  0  0  0  0  0  0  0999 V2000
   -4.9946   -1.0457   -0.5210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910   -1.1898    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639   -1.5238    1.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184   -0.9508   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0642    0.4462    0.2079 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0040    1.3538   -0.4341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844    0.6635   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927    1.5542   -1.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3729   -0.1134    0.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261    0.1402   -0.2903 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5566    0.5632    0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9361    0.8908    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    1.2163    1.5736 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3449    0.8994   -0.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773   -1.1297   -0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4224   -2.1352   -0.8905 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983   -1.2768   -1.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7351   -1.7952   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1519   -0.2157   -1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115   -1.7001    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5159   -1.0624   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    0.5643    1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5273    2.2409   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7892    1.6147    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073   -0.8397    0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291    0.9412   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    1.4408    1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -0.2721    1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    2.0075    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7512    0.6440    1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755   -1.9305   -2.2699 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  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  1
  6 23  1  0
  6 24  1  0
  9 25  1  0
 10 26  1  6
 11 27  1  0
 11 28  1  0
 13 29  1  0
 13 30  1  0
 17 31  1  0
M  END
Download

3D SDF for HMDB0028726 (Asparaginylasparagine)


  Mrv1652304062013252D          

 17 16  0  0  0  0            999 V2000
 2498.1130 2497.1292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 2498.1130 2497.9534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8250 2498.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5387 2497.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8250 2499.1891    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 2498.1130 2499.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.3989 2499.1891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.6544 2499.6186    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2497.3989 2498.3646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5387 2499.6023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2497.3970 2496.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.6831 2497.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2495.9692 2496.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 2496.6831 2497.9534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8269 2496.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.5408 2497.1292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 2498.8269 2495.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  1 11  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  5 10  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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028726

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C8H14N4O5/c9-3(1-5(10)13)7(15)12-4(8(16)17)2-6(11)14/h3-4H,1-2,9H2,(H2,10,13)(H2,11,14)(H,12,15)(H,16,17)/t3-,4-/m0/s1

> <INCHI_KEY>
RJUHZPRQRQLCFL-IMJSIDKUSA-N

> <FORMULA>
C8H14N4O5

> <MOLECULAR_WEIGHT>
246.223

> <EXACT_MASS>
246.096419567

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
22.27158245067104

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

> <ALOGPS_LOGP>
-3.52

> <JCHEM_LOGP>
-6.277213734724329

> <ALOGPS_LOGS>
-1.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.96221886361921

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3281721552739834

> <JCHEM_PKA_STRONGEST_BASIC>
7.346728586170008

> <JCHEM_POLAR_SURFACE_AREA>
178.59999999999997

> <JCHEM_REFRACTIVITY>
53.50990000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.60e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0028726 (Asparaginylasparagine)

HMDB0028726
     RDKit          3D
Asparaginylasparagine
 31 30  0  0  0  0  0  0  0  0999 V2000
   -4.9946   -1.0457   -0.5210 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8910   -1.1898    0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0639   -1.5238    1.5263 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184   -0.9508   -0.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0642    0.4462    0.2079 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0040    1.3538   -0.4341 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6844    0.6635   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4927    1.5542   -1.1403 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3729   -0.1134    0.2240 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7261    0.1402   -0.2903 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5566    0.5632    0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9361    0.8908    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764    1.2163    1.5736 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3449    0.8994   -0.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773   -1.1297   -0.9077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4224   -2.1352   -0.8905 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983   -1.2768   -1.5116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7351   -1.7952   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1519   -0.2157   -1.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8115   -1.7001    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5159   -1.0624   -1.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1340    0.5643    1.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5273    2.2409   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7892    1.6147    0.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073   -0.8397    0.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7291    0.9412   -1.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0390    1.4408    1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -0.2721    1.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7053    2.0075    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7512    0.6440    1.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755   -1.9305   -2.2699 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  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  4 21  1  0
  5 22  1  1
  6 23  1  0
  6 24  1  0
  9 25  1  0
 10 26  1  6
 11 27  1  0
 11 28  1  0
 13 29  1  0
 13 30  1  0
 17 31  1  0
M  END
Download

PDB for HMDB0028726 (Asparaginylasparagine)

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    4663.1444661.308   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0    4663.1444662.846   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0    4664.4734663.614   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    4665.8064662.846   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0    4664.4734665.153   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4663.1444665.924   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4661.8114665.153   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0    4660.4224665.955   0.000  0.00  0.00           N+0
HETATM    9  O   UNK     0    4661.8114663.614   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0    4665.8064665.924   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0    4661.8084660.536   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    4660.4754661.308   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0    4659.1434660.536   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0    4660.4754662.846   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0    4664.4774660.536   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0    4665.8094661.308   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0    4664.4774658.997   0.000  0.00  0.00           O+0
CONECT    1    2   11   15                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5                                                            
CONECT   11    1   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    1   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END
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3D PDB for HMDB0028726 (Asparaginylasparagine)

COMPND    HMDB0028726
HETATM    1  N1  UNL     1      -4.995  -1.046  -0.521  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.891  -1.190   0.334  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.064  -1.524   1.526  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.518  -0.951  -0.155  1.00  0.00           C  
HETATM    5  C3  UNL     1      -2.064   0.446   0.208  1.00  0.00           C  
HETATM    6  N2  UNL     1      -3.004   1.354  -0.434  1.00  0.00           N  
HETATM    7  C4  UNL     1      -0.684   0.663  -0.277  1.00  0.00           C  
HETATM    8  O2  UNL     1      -0.493   1.554  -1.140  1.00  0.00           O  
HETATM    9  N3  UNL     1       0.373  -0.113   0.224  1.00  0.00           N  
HETATM   10  C5  UNL     1       1.726   0.140  -0.290  1.00  0.00           C  
HETATM   11  C6  UNL     1       2.557   0.563   0.873  1.00  0.00           C  
HETATM   12  C7  UNL     1       3.936   0.891   0.549  1.00  0.00           C  
HETATM   13  N4  UNL     1       4.876   1.216   1.574  1.00  0.00           N  
HETATM   14  O3  UNL     1       4.345   0.899  -0.628  1.00  0.00           O  
HETATM   15  C8  UNL     1       2.177  -1.130  -0.908  1.00  0.00           C  
HETATM   16  O4  UNL     1       1.422  -2.135  -0.891  1.00  0.00           O  
HETATM   17  O5  UNL     1       3.398  -1.277  -1.512  1.00  0.00           O  
HETATM   18  H1  UNL     1      -5.735  -1.795  -0.588  1.00  0.00           H  
HETATM   19  H2  UNL     1      -5.152  -0.216  -1.127  1.00  0.00           H  
HETATM   20  H3  UNL     1      -1.812  -1.700   0.236  1.00  0.00           H  
HETATM   21  H4  UNL     1      -2.516  -1.062  -1.277  1.00  0.00           H  
HETATM   22  H5  UNL     1      -2.134   0.564   1.290  1.00  0.00           H  
HETATM   23  H6  UNL     1      -2.527   2.241  -0.761  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.789   1.615   0.190  1.00  0.00           H  
HETATM   25  H8  UNL     1       0.207  -0.840   0.930  1.00  0.00           H  
HETATM   26  H9  UNL     1       1.729   0.941  -1.035  1.00  0.00           H  
HETATM   27  H10 UNL     1       2.039   1.441   1.336  1.00  0.00           H  
HETATM   28  H11 UNL     1       2.560  -0.272   1.620  1.00  0.00           H  
HETATM   29  H12 UNL     1       4.705   2.007   2.210  1.00  0.00           H  
HETATM   30  H13 UNL     1       5.751   0.644   1.681  1.00  0.00           H  
HETATM   31  H14 UNL     1       3.575  -1.931  -2.270  1.00  0.00           H  
CONECT    1    2   18   19
CONECT    2    3    3    4
CONECT    4    5   20   21
CONECT    5    6    7   22
CONECT    6   23   24
CONECT    7    8    8    9
CONECT    9   10   25
CONECT   10   11   15   26
CONECT   11   12   27   28
CONECT   12   13   14   14
CONECT   13   29   30
CONECT   15   16   16   17
CONECT   17   31
END
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SMILES for HMDB0028726 (Asparaginylasparagine)

N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
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INCHI for HMDB0028726 (Asparaginylasparagine)

InChI=1S/C8H14N4O5/c9-3(1-5(10)13)7(15)12-4(8(16)17)2-6(11)14/h3-4H,1-2,9H2,(H2,10,13)(H2,11,14)(H,12,15)(H,16,17)/t3-,4-/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
L-Asn-L-asnChEBI
N-NChEBI
NNChEBI
Asn-asnHMDB
Asparagine asparagine dipeptideHMDB
Asparagine-asparagine dipeptideHMDB
Asparaginyl-asparagineHMDB
L-Asparaginyl-L-asparagineHMDB
N-N DipeptideHMDB
N2-AsparaginylasparagineHMDB
N2-L-Asparaginyl-L-asparagineHMDB
NN DipeptideHMDB
Chemical FormulaC8H14N4O5
Average Molecular Weight246.223
Monoisotopic Molecular Weight246.096419567
IUPAC Name(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanoic acid
Traditional Name(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanoic acid
CAS Registry Number58471-52-6
SMILES
N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
InChI Identifier
InChI=1S/C8H14N4O5/c9-3(1-5(10)13)7(15)12-4(8(16)17)2-6(11)14/h3-4H,1-2,9H2,(H2,10,13)(H2,11,14)(H,12,15)(H,16,17)/t3-,4-/m0/s1
InChI KeyRJUHZPRQRQLCFL-IMJSIDKUSA-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Asparagine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • N-acyl-amine
  • Fatty amide
  • Fatty acid
  • Fatty acyl
  • Secondary carboxylic acid amide
  • Primary carboxylic acid amide
  • Carboxamide group
  • Amino acid or derivatives
  • Amino acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Primary aliphatic amine
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-6.28Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility5.6 g/LALOGPS
logP-3.5ALOGPS
logP-6.3ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)3.33ChemAxon
pKa (Strongest Basic)7.35ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area178.6 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity53.51 m³·mol⁻¹ChemAxon
Polarizability22.27 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+156.97830932474
DeepCCS[M-H]-154.58330932474
DeepCCS[M-2H]-187.50830932474
DeepCCS[M+Na]+163.03430932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
AsparaginylasparagineN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O3105.2Standard polar33892256
AsparaginylasparagineN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O2161.6Standard non polar33892256
AsparaginylasparagineN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O2883.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Asparaginylasparagine,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O2416.5Semi standard non polar33892256
Asparaginylasparagine,1TMS,isomer #2C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O2471.2Semi standard non polar33892256
Asparaginylasparagine,1TMS,isomer #3C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O2502.6Semi standard non polar33892256
Asparaginylasparagine,1TMS,isomer #4C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O2504.1Semi standard non polar33892256
Asparaginylasparagine,1TMS,isomer #5C[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(N)=O)C(=O)O2433.1Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #1C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O[Si](C)(C)C2494.9Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #1C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O[Si](C)(C)C2416.6Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #10C[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2617.1Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #10C[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2499.8Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #11C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2502.9Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #11C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2466.9Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #12C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O)[Si](C)(C)C2610.5Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #12C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O)[Si](C)(C)C2521.1Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #13C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2501.9Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #13C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2475.2Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C2490.1Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C2372.1Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #3C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C2493.1Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #3C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C2444.6Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2463.2Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2327.3Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #5C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O2539.9Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #5C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O2512.4Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #6C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C)C(=O)O2540.9Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #6C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C)C(=O)O2523.6Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #7C[Si](C)(C)N([C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2587.8Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #7C[Si](C)(C)N([C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2484.8Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #8C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2511.9Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #8C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2383.6Standard non polar33892256
Asparaginylasparagine,2TMS,isomer #9C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O2590.2Semi standard non polar33892256
Asparaginylasparagine,2TMS,isomer #9C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O2602.7Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #1C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2547.4Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #1C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2496.6Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #10C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O2625.2Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #10C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O2666.2Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #11C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O2638.5Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #11C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O2575.0Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #12C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2661.9Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #12C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2628.7Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #13C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2531.4Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #13C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2543.5Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2637.4Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2587.3Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #15C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C2521.5Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #15C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C2552.4Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #16C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2658.2Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #16C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2642.1Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #17C[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O2653.4Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #17C[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O2508.7Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #18C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2675.1Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #18C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2644.1Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #19C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2539.0Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #19C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2619.9Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #2C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2581.8Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #2C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2553.1Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #20C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2682.1Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #20C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2652.1Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #21C[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O2600.4Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #21C[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O2542.9Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #22C[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2594.9Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #22C[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2557.1Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC(N)=O2591.4Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC(N)=O2502.0Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #4C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2486.4Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #4C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2467.0Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #5C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C2541.8Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #5C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C2522.5Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C2582.4Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C2503.7Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #7C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2512.0Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #7C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2407.8Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C2591.3Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C2510.5Standard non polar33892256
Asparaginylasparagine,3TMS,isomer #9C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2482.1Semi standard non polar33892256
Asparaginylasparagine,3TMS,isomer #9C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2470.1Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #1C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2624.6Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #1C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2630.9Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #10C[Si](C)(C)NC(=O)C[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)C2649.7Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #10C[Si](C)(C)NC(=O)C[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)C2621.7Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #11C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2515.8Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #11C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2543.1Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2666.5Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2544.5Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #13C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2584.6Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #13C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2569.4Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #14C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2688.6Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #14C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2709.5Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #15C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2577.7Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #15C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2673.7Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #16C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O2685.2Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #16C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O2705.7Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #17C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2706.0Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #17C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2749.8Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #18C[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2773.0Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #18C[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2703.1Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #19C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2633.7Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #19C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C2627.2Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #2C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2633.6Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #2C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2574.7Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #20C[Si](C)(C)NC(=O)C[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)C2668.1Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #20C[Si](C)(C)NC(=O)C[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)C2648.8Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #21C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2779.2Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #21C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2711.5Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #22C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2630.1Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #22C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2637.5Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #23C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2663.9Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #23C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2654.9Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #24C[Si](C)(C)N(C(=O)C[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)C2788.0Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #24C[Si](C)(C)N(C(=O)C[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)C2714.5Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #25C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2630.2Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #25C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2684.0Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #26C[Si](C)(C)NC(=O)C[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)C2623.2Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #26C[Si](C)(C)NC(=O)C[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)C2688.0Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #3C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C2509.8Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #3C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C)[Si](C)(C)C2539.2Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #4C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2653.7Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #4C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2607.3Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #5C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2650.8Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #5C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2616.6Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #6C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2523.1Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #6C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2593.6Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #7C[Si](C)(C)NC(=O)C[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)C2651.4Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #7C[Si](C)(C)NC(=O)C[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)C2622.7Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2587.6Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2572.2Standard non polar33892256
Asparaginylasparagine,4TMS,isomer #9C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C2623.7Semi standard non polar33892256
Asparaginylasparagine,4TMS,isomer #9C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C2592.8Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #1C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2669.3Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #1C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2686.3Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #10C[Si](C)(C)NC(=O)C[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)C2616.4Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #10C[Si](C)(C)NC(=O)C[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)C2679.4Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2770.2Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2711.2Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #12C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2622.2Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #12C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2635.3Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #13C[Si](C)(C)NC(=O)C[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)C2674.1Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #13C[Si](C)(C)NC(=O)C[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)C2656.7Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #14C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2766.7Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #14C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2765.0Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #15C[Si](C)(C)NC(=O)C[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)C2820.3Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #15C[Si](C)(C)NC(=O)C[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)C2803.2Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #16C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2649.4Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #16C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2738.1Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #17C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2652.8Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #17C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2740.7Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #18C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2690.3Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #18C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2764.3Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #19C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2815.0Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #19C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2801.6Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #2C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2683.7Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #2C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2728.5Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #20C[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O2802.2Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #20C[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(N)=O)C(=O)O2742.4Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #21C[Si](C)(C)N(C(=O)[C@H](CC(N)=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)O2805.8Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #21C[Si](C)(C)N(C(=O)[C@H](CC(N)=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)O2744.3Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #22C[Si](C)(C)N(C(=O)[C@@H](N)CC(=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)O2766.5Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #22C[Si](C)(C)N(C(=O)[C@@H](N)CC(=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)O2770.2Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #3C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2539.7Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #3C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2662.7Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #4C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2659.8Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #4C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2689.6Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C2784.0Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C2699.3Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #6C[Si](C)(C)N[C@@H](CC(N)=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)C2619.4Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #6C[Si](C)(C)N[C@@H](CC(N)=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)C2635.8Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #7C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2676.1Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #7C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2650.9Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C2787.6Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C2702.0Standard non polar33892256
Asparaginylasparagine,5TMS,isomer #9C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2619.7Semi standard non polar33892256
Asparaginylasparagine,5TMS,isomer #9C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2677.5Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #1C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2766.4Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #1C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2759.7Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #10C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](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)C2955.8Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #10C[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](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)C2874.6Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #11C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2782.2Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #11C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2821.4Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #12C[Si](C)(C)NC(=O)C[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)C2814.9Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #12C[Si](C)(C)NC(=O)C[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)C2841.6Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #13C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2818.5Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #13C[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2844.7Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #2C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2641.2Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #2C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2740.6Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #3C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](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)C2791.6Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #3C[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](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)C2797.2Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #4C[Si](C)(C)NC(=O)C[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)C2798.2Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #4C[Si](C)(C)NC(=O)C[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)C2800.7Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #5C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2691.5Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #5C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2763.4Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #6C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2638.2Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #6C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2740.5Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2830.8Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2750.9Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2779.5Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2773.8Standard non polar33892256
Asparaginylasparagine,6TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2827.1Semi standard non polar33892256
Asparaginylasparagine,6TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2756.3Standard non polar33892256
Asparaginylasparagine,7TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2960.4Semi standard non polar33892256
Asparaginylasparagine,7TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2883.6Standard non polar33892256
Asparaginylasparagine,7TMS,isomer #2C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2787.8Semi standard non polar33892256
Asparaginylasparagine,7TMS,isomer #2C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2831.1Standard non polar33892256
Asparaginylasparagine,7TMS,isomer #3C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2840.0Semi standard non polar33892256
Asparaginylasparagine,7TMS,isomer #3C[Si](C)(C)NC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2851.9Standard non polar33892256
Asparaginylasparagine,7TMS,isomer #4C[Si](C)(C)NC(=O)C[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)C2842.1Semi standard non polar33892256
Asparaginylasparagine,7TMS,isomer #4C[Si](C)(C)NC(=O)C[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)C2851.8Standard non polar33892256
Asparaginylasparagine,7TMS,isomer #5C[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2993.1Semi standard non polar33892256
Asparaginylasparagine,7TMS,isomer #5C[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2941.0Standard non polar33892256
Asparaginylasparagine,8TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3039.2Semi standard non polar33892256
Asparaginylasparagine,8TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2950.1Standard non polar33892256
Asparaginylasparagine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O2667.1Semi standard non polar33892256
Asparaginylasparagine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O2705.3Semi standard non polar33892256
Asparaginylasparagine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O2760.2Semi standard non polar33892256
Asparaginylasparagine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O2762.7Semi standard non polar33892256
Asparaginylasparagine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(N)=O)C(=O)O2731.2Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2966.2Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2773.3Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C3075.9Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2859.1Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C3011.3Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2816.5Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C3070.4Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2873.9Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C3005.1Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C2811.2Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2959.3Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2771.1Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2964.4Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2805.1Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C2995.6Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C2719.7Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O3013.1Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O2877.6Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O3015.6Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O2885.9Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N([C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C3078.5Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N([C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2848.4Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C3007.4Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2768.7Standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O3079.0Semi standard non polar33892256
Asparaginylasparagine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O2915.5Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3224.1Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3016.0Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O3290.6Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O3112.4Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O3302.5Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O3111.8Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(=O)C[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)C3357.4Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(=O)C[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)C3110.2Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C3254.3Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C3023.1Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=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)O3308.2Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=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)O3121.7Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3254.6Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3035.3Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3361.6Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3116.3Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O3332.8Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O3022.1Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3339.2Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3119.8Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3252.0Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3071.0Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3244.6Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3045.3Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC(=O)C[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)O3344.0Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC(=O)C[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)O3139.0Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O3289.0Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(N)=O)C(=O)O3040.6Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3288.5Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #22CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3049.5Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #3CC(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)CC(N)=O3258.0Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #3CC(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)CC(N)=O3027.0Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #4CC(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)CC(N)=O)[Si](C)(C)C(C)(C)C3198.8Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #4CC(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)CC(N)=O)[Si](C)(C)C(C)(C)C2982.6Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C3216.4Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C3036.4Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3306.0Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3023.7Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=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)C3217.9Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=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)C2967.4Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3251.5Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3036.5Standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=O)C[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)C3184.1Semi standard non polar33892256
Asparaginylasparagine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=O)C[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)C2996.9Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3485.9Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3225.7Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=O)C[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)C3564.0Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=O)C[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)C3257.7Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3429.7Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3188.9Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3553.7Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3215.5Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3496.5Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3231.1Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3575.6Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3311.4Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3461.6Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3236.6Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](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)O3570.3Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](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)O3307.6Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3624.4Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3321.0Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3635.6Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3327.6Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C3537.4Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #19CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C3255.9Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=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)C3510.7Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=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)C3240.3Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC(=O)C[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)C3575.2Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #20CC(C)(C)[Si](C)(C)NC(=O)C[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)C3261.2Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](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)C3643.2Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](NC(=O)[C@H](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)C3330.2Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=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)C3534.1Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #22CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=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)C3265.4Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3573.4Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #23CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3264.3Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)N(C(=O)C[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)C3621.1Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #24CC(C)(C)[Si](C)(C)N(C(=O)C[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)C3343.1Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3526.7Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #25CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3278.7Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)NC(=O)C[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)C3520.6Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #26CC(C)(C)[Si](C)(C)NC(=O)C[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)C3289.3Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #3CC(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](CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3429.2Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #3CC(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](CC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3188.9Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](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)C3572.2Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](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)C3242.1Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](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)C3527.2Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@@H](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)C3251.0Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3414.6Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3218.2Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)C[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)C3534.5Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)C[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)C3264.9Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #8CC(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)CC(N)=O)[Si](C)(C)C(C)(C)C3503.3Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #8CC(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)CC(N)=O)[Si](C)(C)C(C)(C)C3232.6Standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C3498.5Semi standard non polar33892256
Asparaginylasparagine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C3254.1Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](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[Si](C)(C)C(C)(C)C3741.8Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](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[Si](C)(C)C(C)(C)C3423.3Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=O)C[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)C3716.7Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(=O)C[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)C3440.1Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](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)C3857.6Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(N)=O)NC(=O)[C@H](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)C3471.4Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3736.1Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3412.5Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(=O)C[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)C3797.5Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(=O)C[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)C3423.0Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3837.9Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3510.5Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(=O)C[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)C3908.3Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(=O)C[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)C3520.7Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3746.8Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3450.4Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](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)C3752.3Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #17CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](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)C3452.4Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3803.6Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3463.1Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](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)O3899.5Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #19CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](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)O3515.7Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3810.9Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C[C@H](NC(=O)[C@H](CC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3436.8Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #20CC(C)(C)[Si](C)(C)N(C(=O)[C@H](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@@H](CC(N)=O)C(=O)O3857.0Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #20CC(C)(C)[Si](C)(C)N(C(=O)[C@H](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@@H](CC(N)=O)C(=O)O3488.6Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(N)=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)O3855.7Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #21CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(N)=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)O3486.6Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #22CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(=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)O3798.2Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #22CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(=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)O3497.5Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3626.3Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3376.4Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3748.4Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3426.6Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #5CC(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](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3872.2Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #5CC(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](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3459.1Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=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)C3731.8Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=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)C3413.6Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #7CC(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](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3795.8Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #7CC(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](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3417.3Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #8CC(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)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3827.2Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #8CC(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)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3474.9Standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #9CC(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)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3717.9Semi standard non polar33892256
Asparaginylasparagine,5TBDMS,isomer #9CC(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)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3431.0Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Asparaginylasparagine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Asparaginylasparagine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 10V, Positive-QTOFsplash10-001i-1190000000-695279204f0e5a7949f12019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 20V, Positive-QTOFsplash10-02hi-9660000000-19d3bc77740067fe637b2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 40V, Positive-QTOFsplash10-00du-9000000000-62ee04ffefa654ce1c302019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 10V, Negative-QTOFsplash10-002b-0190000000-f25455454bc4ae63c4662019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 20V, Negative-QTOFsplash10-0036-6960000000-de563115a97b68becedd2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 40V, Negative-QTOFsplash10-0006-9300000000-fcc01e6af338c95550522019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 10V, Positive-QTOFsplash10-001j-0190000000-71706d5a73402c9d6a892021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 20V, Positive-QTOFsplash10-001i-3920000000-acd23afd0e4ab071579a2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 40V, Positive-QTOFsplash10-02g2-9300000000-1357fdefa178b4b01de42021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 10V, Negative-QTOFsplash10-0002-0190000000-483e265ba5555cd10fe62021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 20V, Negative-QTOFsplash10-01qi-4900000000-b65f057daf292efa377f2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylasparagine 40V, Negative-QTOFsplash10-0006-9300000000-59777e06d7bbe482d5e72021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111783
KNApSAcK IDNot Available
Chemspider ID17279436
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound16122514
PDB IDNot Available
ChEBI ID73406
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Broberg K, Hoglund M, Gustafsson C, Bjork J, Ingvar C, Albin M, Olsson H: Genetic variant of the human homologous recombination-associated gene RMI1 (S455N) impacts the risk of AML/MDS and malignant melanoma. Cancer Lett. 2007 Dec 8;258(1):38-44. Epub 2007 Sep 27. [PubMed:17900800 ]