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Showing metabocard for Glycyl-Asparagine (HMDB0028836)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:41 UTC
Update Date2023-02-21 17:18:35 UTC
HMDB IDHMDB0028836
Secondary Accession Numbers
  • HMDB28836
Metabolite Identification
Common NameGlycyl-Asparagine
DescriptionGlycyl-Asparagine is a dipeptide composed of glycine and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.
Structure
Data?1676999915
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0028836 (Glycyl-Asparagine)


  Mrv1652304062013412D          

 13 12  0  0  0  0            999 V2000
    3.1895    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
Download

3D MOL for HMDB0028836 (Glycyl-Asparagine)

HMDB0028836
     RDKit          3D
Glycyl-Asparagine
 24 23  0  0  0  0  0  0  0  0999 V2000
    3.9903    1.0463   -0.9085 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2077    0.5643    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510    0.2397   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5745    0.4180   -1.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8401   -0.2557    0.6391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5004   -0.5502    0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4776    0.3980    0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8623    0.3027    0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8380    1.1172    0.9087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2233   -0.4670   -0.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032   -1.9688    0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614   -2.7054    0.8206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9429   -2.6053   -0.1745 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450    1.9262   -1.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9499    1.3426   -0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894   -0.4128    0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2476    1.2295    1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945   -0.4197    1.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4374   -0.3032   -0.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271    1.4586    0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562    0.1902    1.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3085    1.9199    0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1554    0.9908    1.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8193   -3.4558   -0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  6 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  9 22  1  0
  9 23  1  0
 13 24  1  0
M  END
Download

3D SDF for HMDB0028836 (Glycyl-Asparagine)


  Mrv1652304062013412D          

 13 12  0  0  0  0            999 V2000
    3.1895    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    0.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0028836

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)

> <INCHI_KEY>
FUESBOMYALLFNI-UHFFFAOYSA-N

> <FORMULA>
C6H11N3O4

> <MOLECULAR_WEIGHT>
189.1692

> <EXACT_MASS>
189.074955855

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
17.111987412399074

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(2-aminoacetamido)-3-carbamoylpropanoic acid

> <ALOGPS_LOGP>
-3.37

> <JCHEM_LOGP>
-5.397791255131356

> <ALOGPS_LOGS>
-0.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.112762246495755

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3732350537395592

> <JCHEM_PKA_STRONGEST_BASIC>
8.139494250866624

> <JCHEM_POLAR_SURFACE_AREA>
135.51000000000002

> <JCHEM_REFRACTIVITY>
41.15840000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.98e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-(2-aminoacetamido)-3-carbamoylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0028836 (Glycyl-Asparagine)

HMDB0028836
     RDKit          3D
Glycyl-Asparagine
 24 23  0  0  0  0  0  0  0  0999 V2000
    3.9903    1.0463   -0.9085 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2077    0.5643    0.2097 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8510    0.2397   -0.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5745    0.4180   -1.4629 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8401   -0.2557    0.6391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5004   -0.5502    0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4776    0.3980    0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8623    0.3027    0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8380    1.1172    0.9087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2233   -0.4670   -0.6247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032   -1.9688    0.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614   -2.7054    0.8206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9429   -2.6053   -0.1745 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5450    1.9262   -1.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9499    1.3426   -0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6894   -0.4128    0.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2476    1.2295    1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9945   -0.4197    1.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4374   -0.3032   -0.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271    1.4586    0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562    0.1902    1.8198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3085    1.9199    0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1554    0.9908    1.8946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8193   -3.4558   -0.7418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  6 11  1  0
 11 12  2  0
 11 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  2 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  9 22  1  0
  9 23  1  0
 13 24  1  0
M  END
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PDB for HMDB0028836 (Glycyl-Asparagine)

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  N   UNK     0       5.954   3.437   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.620   1.127   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       1.953   2.667   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      11.288   3.437   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0       9.955   1.127   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       7.287   1.127   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       8.621   0.357   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       5.954   0.357   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4                                                            
CONECT    6    1    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    6   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END
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3D PDB for HMDB0028836 (Glycyl-Asparagine)

COMPND    HMDB0028836
HETATM    1  N1  UNL     1       3.990   1.046  -0.909  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.208   0.564   0.210  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.851   0.240  -0.226  1.00  0.00           C  
HETATM    4  O1  UNL     1       1.574   0.418  -1.463  1.00  0.00           O  
HETATM    5  N2  UNL     1       0.840  -0.256   0.639  1.00  0.00           N  
HETATM    6  C3  UNL     1      -0.500  -0.550   0.077  1.00  0.00           C  
HETATM    7  C4  UNL     1      -1.478   0.398   0.709  1.00  0.00           C  
HETATM    8  C5  UNL     1      -2.862   0.303   0.277  1.00  0.00           C  
HETATM    9  N3  UNL     1      -3.838   1.117   0.909  1.00  0.00           N  
HETATM   10  O2  UNL     1      -3.223  -0.467  -0.625  1.00  0.00           O  
HETATM   11  C6  UNL     1      -0.803  -1.969   0.240  1.00  0.00           C  
HETATM   12  O3  UNL     1       0.061  -2.705   0.821  1.00  0.00           O  
HETATM   13  O4  UNL     1      -1.943  -2.605  -0.175  1.00  0.00           O  
HETATM   14  H1  UNL     1       3.545   1.926  -1.290  1.00  0.00           H  
HETATM   15  H2  UNL     1       4.950   1.343  -0.609  1.00  0.00           H  
HETATM   16  H3  UNL     1       3.689  -0.413   0.511  1.00  0.00           H  
HETATM   17  H4  UNL     1       3.248   1.229   1.096  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.994  -0.420   1.637  1.00  0.00           H  
HETATM   19  H6  UNL     1      -0.437  -0.303  -0.995  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.127   1.459   0.594  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.456   0.190   1.820  1.00  0.00           H  
HETATM   22  H9  UNL     1      -4.308   1.920   0.395  1.00  0.00           H  
HETATM   23  H10 UNL     1      -4.155   0.991   1.895  1.00  0.00           H  
HETATM   24  H11 UNL     1      -1.819  -3.456  -0.742  1.00  0.00           H  
CONECT    1    2   14   15
CONECT    2    3   16   17
CONECT    3    4    4    5
CONECT    5    6   18
CONECT    6    7   11   19
CONECT    7    8   20   21
CONECT    8    9   10   10
CONECT    9   22   23
CONECT   11   12   12   13
CONECT   13   24
END
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SMILES for HMDB0028836 (Glycyl-Asparagine)

NCC(=O)NC(CC(N)=O)C(O)=O
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INCHI for HMDB0028836 (Glycyl-Asparagine)

InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
g-N DipeptideHMDB
Gly-asnHMDB
Glycine asparagine dipeptideHMDB
Glycine-asparagine dipeptideHMDB
GlycylasparagineHMDB
GN DipeptideHMDB
L-Glycyl-L-asparagineHMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-3-(C-hydroxycarbonimidoyl)propanoateHMDB
Chemical FormulaC6H11N3O4
Average Molecular Weight189.1692
Monoisotopic Molecular Weight189.074955855
IUPAC Name2-(2-aminoacetamido)-3-carbamoylpropanoic acid
Traditional Name2-(2-aminoacetamido)-3-carbamoylpropanoic acid
CAS Registry NumberNot Available
SMILES
NCC(=O)NC(CC(N)=O)C(O)=O
InChI Identifier
InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)
InChI KeyFUESBOMYALLFNI-UHFFFAOYSA-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
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Fatty amide
  • Fatty acyl
  • Fatty acid
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Primary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-5.4Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility19.8 g/LALOGPS
logP-3.4ALOGPS
logP-5.4ChemAxon
logS-0.98ALOGPS
pKa (Strongest Acidic)3.37ChemAxon
pKa (Strongest Basic)8.14ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area135.51 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity41.16 m³·mol⁻¹ChemAxon
Polarizability17.11 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
DarkChem[M+H]+143.52331661259
DarkChem[M-H]-138.76231661259
DeepCCS[M+H]+135.35630932474
DeepCCS[M-H]-131.52930932474
DeepCCS[M-2H]-169.02530932474
DeepCCS[M+Na]+144.56330932474
AllCCS[M+H]+140.632859911
AllCCS[M+H-H2O]+136.932859911
AllCCS[M+NH4]+144.032859911
AllCCS[M+Na]+145.032859911
AllCCS[M-H]-135.032859911
AllCCS[M+Na-2H]-136.232859911
AllCCS[M+HCOO]-137.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Glycyl-AsparagineNCC(=O)NC(CC(N)=O)C(O)=O2567.9Standard polar33892256
Glycyl-AsparagineNCC(=O)NC(CC(N)=O)C(O)=O1732.3Standard non polar33892256
Glycyl-AsparagineNCC(=O)NC(CC(N)=O)C(O)=O2216.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glycyl-Asparagine,1TMS,isomer #1C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN1977.7Semi standard non polar33892256
Glycyl-Asparagine,1TMS,isomer #2C[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O2026.1Semi standard non polar33892256
Glycyl-Asparagine,1TMS,isomer #3C[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O2056.9Semi standard non polar33892256
Glycyl-Asparagine,1TMS,isomer #4C[Si](C)(C)N(C(=O)CN)C(CC(N)=O)C(=O)O2005.3Semi standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #1C[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O[Si](C)(C)C2096.5Semi standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #1C[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O[Si](C)(C)C1958.2Standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #2C[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C2088.4Semi standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #2C[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C1964.4Standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #3C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN)[Si](C)(C)C2008.8Semi standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #3C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN)[Si](C)(C)C1946.6Standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #4C[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C)C(=O)O2155.5Semi standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #4C[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C)C(=O)O2089.0Standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #5C[Si](C)(C)N(CC(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C2234.8Semi standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #5C[Si](C)(C)N(CC(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C2106.0Standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #6C[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C2108.0Semi standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #6C[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C2026.2Standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #7C[Si](C)(C)N(C(=O)CC(NC(=O)CN)C(=O)O)[Si](C)(C)C2197.2Semi standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #7C[Si](C)(C)N(C(=O)CC(NC(=O)CN)C(=O)O)[Si](C)(C)C2053.6Standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #8C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN)[Si](C)(C)C2084.7Semi standard non polar33892256
Glycyl-Asparagine,2TMS,isomer #8C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN)[Si](C)(C)C2093.7Standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #1C[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2180.5Semi standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #1C[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2064.6Standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #10C[Si](C)(C)N(C(=O)CN)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2157.6Semi standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #10C[Si](C)(C)N(C(=O)CN)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2174.4Standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN2173.0Semi standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #2C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN2049.4Standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #3C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C2062.8Semi standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #3C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C2074.0Standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #4C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2286.5Semi standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #4C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2132.3Standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #5C[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2085.5Semi standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #5C[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2046.4Standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #6C[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2351.4Semi standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #6C[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2248.7Standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #7C[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2166.3Semi standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #7C[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2193.2Standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #8C[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2279.1Semi standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #8C[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2155.2Standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #9C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC(N)=O)C(=O)O2256.0Semi standard non polar33892256
Glycyl-Asparagine,3TMS,isomer #9C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC(N)=O)C(=O)O2164.2Standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #1C[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2335.2Semi standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #1C[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2210.0Standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #2C[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2127.9Semi standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #2C[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2158.7Standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #3C[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2239.3Semi standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #3C[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2154.1Standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C2136.1Semi standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN)[Si](C)(C)C2174.2Standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2274.0Semi standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #5C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2179.9Standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #6C[Si](C)(C)N(CC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2429.8Semi standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #6C[Si](C)(C)N(CC(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2307.7Standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #7C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2313.0Semi standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #7C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2304.0Standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #8C[Si](C)(C)NCC(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2244.6Semi standard non polar33892256
Glycyl-Asparagine,4TMS,isomer #8C[Si](C)(C)NCC(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2259.7Standard non polar33892256
Glycyl-Asparagine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2437.4Semi standard non polar33892256
Glycyl-Asparagine,5TMS,isomer #1C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C2299.4Standard non polar33892256
Glycyl-Asparagine,5TMS,isomer #2C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2306.5Semi standard non polar33892256
Glycyl-Asparagine,5TMS,isomer #2C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2269.4Standard non polar33892256
Glycyl-Asparagine,5TMS,isomer #3C[Si](C)(C)NCC(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2232.7Semi standard non polar33892256
Glycyl-Asparagine,5TMS,isomer #3C[Si](C)(C)NCC(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2257.0Standard non polar33892256
Glycyl-Asparagine,5TMS,isomer #4C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2408.9Semi standard non polar33892256
Glycyl-Asparagine,5TMS,isomer #4C[Si](C)(C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2379.1Standard non polar33892256
Glycyl-Asparagine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2454.1Semi standard non polar33892256
Glycyl-Asparagine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2379.4Standard non polar33892256
Glycyl-Asparagine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN2237.2Semi standard non polar33892256
Glycyl-Asparagine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O2281.2Semi standard non polar33892256
Glycyl-Asparagine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O2313.4Semi standard non polar33892256
Glycyl-Asparagine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC(N)=O)C(=O)O2253.9Semi standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O[Si](C)(C)C(C)(C)C2574.4Semi standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN)C(=O)O[Si](C)(C)C(C)(C)C2330.4Standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2548.4Semi standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2372.6Standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN)[Si](C)(C)C(C)(C)C2497.0Semi standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN)[Si](C)(C)C(C)(C)C2330.8Standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O2644.3Semi standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O2455.7Standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2673.1Semi standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CC(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2455.5Standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2578.4Semi standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C2404.4Standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)CN)C(=O)O)[Si](C)(C)C(C)(C)C2666.6Semi standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)CN)C(=O)O)[Si](C)(C)C(C)(C)C2426.0Standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C2570.2Semi standard non polar33892256
Glycyl-Asparagine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN)[Si](C)(C)C(C)(C)C2410.1Standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2823.3Semi standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2612.1Standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2820.9Semi standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(=O)CN)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2654.6Standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN2838.2Semi standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN2624.7Standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C2746.2Semi standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C2583.7Standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2911.2Semi standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2681.7Standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2776.0Semi standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2622.9Standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2987.4Semi standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2734.5Standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2858.8Semi standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCC(=O)N(C(CC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2677.2Standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2930.5Semi standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCC(=O)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2709.4Standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(N)=O)C(=O)O2886.6Semi standard non polar33892256
Glycyl-Asparagine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(N)=O)C(=O)O2676.4Standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3186.0Semi standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2877.9Standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)N(C(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)C3016.5Semi standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)N(C(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)C2832.1Standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCC(=O)NC(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)C3094.2Semi standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCC(=O)NC(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)C2872.8Standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C3016.7Semi standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CN)[Si](C)(C)C(C)(C)C2861.0Standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3114.7Semi standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2888.2Standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CC(=O)NC(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)C3252.7Semi standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(CC(=O)NC(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)C2975.1Standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3160.7Semi standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2916.3Standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCC(=O)N(C(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)C3113.5Semi standard non polar33892256
Glycyl-Asparagine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCC(=O)N(C(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)C2915.7Standard non polar33892256
Glycyl-Asparagine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3449.0Semi standard non polar33892256
Glycyl-Asparagine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3135.5Standard non polar33892256
Glycyl-Asparagine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3331.2Semi standard non polar33892256
Glycyl-Asparagine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3089.0Standard non polar33892256
Glycyl-Asparagine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCC(=O)N(C(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)C3291.5Semi standard non polar33892256
Glycyl-Asparagine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCC(=O)N(C(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)C3085.9Standard non polar33892256
Glycyl-Asparagine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3435.8Semi standard non polar33892256
Glycyl-Asparagine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3164.4Standard non polar33892256
Glycyl-Asparagine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3617.3Semi standard non polar33892256
Glycyl-Asparagine,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3343.3Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Asparagine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0536-9400000000-ce156abfaad36bd19dad2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Asparagine GC-MS (1 TMS) - 70eV, Positivesplash10-05ai-9320000000-3a5dacb903d488186c862017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Asparagine 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 - Glycyl-Asparagine 10V, Positive-QTOFsplash10-00dl-3900000000-f95ed30d1bb0a6dac19b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 20V, Positive-QTOFsplash10-053r-9600000000-61ee79a2424e5aa4b43d2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 40V, Positive-QTOFsplash10-0540-9000000000-0980d6d24e5765b67ed92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 10V, Negative-QTOFsplash10-000i-0900000000-2b819399c9091bf6f8d42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 20V, Negative-QTOFsplash10-006x-7900000000-bc34ff68c033e40a0eaf2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 40V, Negative-QTOFsplash10-0006-9000000000-f1f2c0745610d4556f0a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 10V, Positive-QTOFsplash10-00lu-0900000000-1d72c688397a2b58fed62021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 20V, Positive-QTOFsplash10-014i-0900000000-0df77d277466e9f1c2512021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 40V, Positive-QTOFsplash10-000i-9100000000-999fc6e70f743ffa03e82021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 10V, Negative-QTOFsplash10-03di-1900000000-1f1a4fc04ae9fe8ca2a52021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 20V, Negative-QTOFsplash10-03ei-6900000000-8be26564e156b068760f2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Asparagine 40V, Negative-QTOFsplash10-0006-9000000000-f7f6d2f1ae961837664a2021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX 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 IDFDB111875
KNApSAcK IDNot Available
Chemspider ID270647
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound306141
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDGLYASN
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available