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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 20:41:34 UTC

Update Date

2021-09-26 23:16:07 UTC

HMDB ID

HMDB0258893

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Glycylglycylglycylglycine

Description

Glycylglycylglycylglycine, also known as (gly)4 or gly-gly-gly-gly, belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Glycylglycylglycylglycine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Glycylglycylglycylglycine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Glycylglycylglycylglycine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

HMDB0258893
     RDKit          3D
Glycylglycylglycylglycine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.4267    2.1768    1.0832 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1431    1.5928   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    1.2864   -0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3200    0.7733   -1.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808    1.5687    0.6265 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652    1.2986    0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712   -0.1227    0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611   -1.0150    0.2202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852   -0.5343    0.1668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341   -1.9159   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0773   -2.1816   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4594   -3.4009   -0.3519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1210   -1.2396   -0.0847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5155   -1.6165   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4047   -0.4347   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8995    0.6929    0.0901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7672   -0.5965   -0.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659    3.0383    1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4686    1.5107    1.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7728    0.6568   -0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5434    2.2364   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1289    2.0046    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9809    1.8600   -0.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8572    1.6441    1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    0.1908    0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -2.2317   -1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -2.5646    0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173   -0.2389    0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7095   -2.1841   -1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7381   -2.2538    0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4644   -0.0005    0.1873 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  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  2 20  1  0
  2 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  9 25  1  0
 10 26  1  0
 10 27  1  0
 13 28  1  0
 14 29  1  0
 14 30  1  0
 17 31  1  0
M  END

  Mrv1652309112122412D          

 17 16  0  0  0  0            999 V2000
    6.1875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020   -3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020   -4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164   -3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309   -3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454   -2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -3.9849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888   -3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888   -4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033   -3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177   -3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467   -3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322   -2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730   -3.9849    0.0000 N   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
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
  1 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0258893

> <DATABASE_NAME>
hmdb

> <SMILES>
NCC(=O)NCC(=O)NCC(=O)NCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H14N4O5/c9-1-5(13)10-2-6(14)11-3-7(15)12-4-8(16)17/h1-4,9H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)

> <INCHI_KEY>
QMOQBVOBWVNSNO-UHFFFAOYSA-N

> <FORMULA>
C8H14N4O5

> <MOLECULAR_WEIGHT>
246.223

> <EXACT_MASS>
246.096419567

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
31

> <JCHEM_AVERAGE_POLARIZABILITY>
22.81438148681019

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{2-[2-(2-aminoacetamido)acetamido]acetamido}acetic acid

> <ALOGPS_LOGP>
-3.06

> <JCHEM_LOGP>
-6.730107038113263

> <ALOGPS_LOGS>
-2.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.181361648228695

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.3373175054110495

> <JCHEM_PKA_STRONGEST_BASIC>
7.838872957756974

> <JCHEM_POLAR_SURFACE_AREA>
150.62

> <JCHEM_REFRACTIVITY>
54.4139

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.62e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{2-[2-(2-aminoacetamido)acetamido]acetamido}acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0258893
     RDKit          3D
Glycylglycylglycylglycine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.4267    2.1768    1.0832 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1431    1.5928   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    1.2864   -0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3200    0.7733   -1.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808    1.5687    0.6265 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652    1.2986    0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712   -0.1227    0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611   -1.0150    0.2202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852   -0.5343    0.1668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341   -1.9159   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0773   -2.1816   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4594   -3.4009   -0.3519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1210   -1.2396   -0.0847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5155   -1.6165   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4047   -0.4347   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8995    0.6929    0.0901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7672   -0.5965   -0.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659    3.0383    1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4686    1.5107    1.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7728    0.6568   -0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5434    2.2364   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1289    2.0046    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9809    1.8600   -0.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8572    1.6441    1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    0.1908    0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -2.2317   -1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -2.5646    0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173   -0.2389    0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7095   -2.1841   -1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7381   -2.2538    0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4644   -0.0005    0.1873 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  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  2 20  1  0
  2 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  9 25  1  0
 10 26  1  0
 10 27  1  0
 13 28  1  0
 14 29  1  0
 14 30  1  0
 17 31  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      11.550  -6.668   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      12.884  -7.438   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      12.884  -8.978   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0      14.217  -6.668   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      15.551  -7.438   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      16.885  -6.668   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      16.885  -5.128   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      18.218  -7.438   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      19.552  -6.668   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      20.886  -7.438   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      20.886  -8.978   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      22.219  -6.668   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      23.553  -7.438   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      24.887  -6.668   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      26.220  -7.438   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      24.887  -5.128   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      10.216  -7.438   0.000  0.00  0.00           N+0
CONECT    1    2   17                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    1                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END

COMPND    HMDB0258893
HETATM    1  N1  UNL     1       5.427   2.177   1.083  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.143   1.593  -0.193  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.713   1.286  -0.387  1.00  0.00           C  
HETATM    4  O1  UNL     1       3.320   0.773  -1.455  1.00  0.00           O  
HETATM    5  N2  UNL     1       2.781   1.569   0.627  1.00  0.00           N  
HETATM    6  C3  UNL     1       1.365   1.299   0.512  1.00  0.00           C  
HETATM    7  C4  UNL     1       1.071  -0.123   0.297  1.00  0.00           C  
HETATM    8  O2  UNL     1       1.961  -1.015   0.220  1.00  0.00           O  
HETATM    9  N3  UNL     1      -0.285  -0.534   0.167  1.00  0.00           N  
HETATM   10  C5  UNL     1      -0.634  -1.916  -0.046  1.00  0.00           C  
HETATM   11  C6  UNL     1      -2.077  -2.182  -0.160  1.00  0.00           C  
HETATM   12  O3  UNL     1      -2.459  -3.401  -0.352  1.00  0.00           O  
HETATM   13  N4  UNL     1      -3.121  -1.240  -0.085  1.00  0.00           N  
HETATM   14  C7  UNL     1      -4.516  -1.616  -0.212  1.00  0.00           C  
HETATM   15  C8  UNL     1      -5.405  -0.435  -0.095  1.00  0.00           C  
HETATM   16  O4  UNL     1      -4.899   0.693   0.090  1.00  0.00           O  
HETATM   17  O5  UNL     1      -6.767  -0.597  -0.191  1.00  0.00           O  
HETATM   18  H1  UNL     1       4.866   3.038   1.261  1.00  0.00           H  
HETATM   19  H2  UNL     1       5.469   1.511   1.862  1.00  0.00           H  
HETATM   20  H3  UNL     1       5.773   0.657  -0.261  1.00  0.00           H  
HETATM   21  H4  UNL     1       5.543   2.236  -1.027  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.129   2.005   1.529  1.00  0.00           H  
HETATM   23  H6  UNL     1       0.981   1.860  -0.374  1.00  0.00           H  
HETATM   24  H7  UNL     1       0.857   1.644   1.432  1.00  0.00           H  
HETATM   25  H8  UNL     1      -1.018   0.191   0.229  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.191  -2.232  -1.038  1.00  0.00           H  
HETATM   27  H10 UNL     1      -0.197  -2.565   0.751  1.00  0.00           H  
HETATM   28  H11 UNL     1      -2.917  -0.239   0.066  1.00  0.00           H  
HETATM   29  H12 UNL     1      -4.709  -2.184  -1.145  1.00  0.00           H  
HETATM   30  H13 UNL     1      -4.738  -2.254   0.689  1.00  0.00           H  
HETATM   31  H14 UNL     1      -7.464  -0.000   0.187  1.00  0.00           H  
CONECT    1    2   18   19
CONECT    2    3   20   21
CONECT    3    4    4    5
CONECT    5    6   22
CONECT    6    7   23   24
CONECT    7    8    8    9
CONECT    9   10   25
CONECT   10   11   26   27
CONECT   11   12   12   13
CONECT   13   14   28
CONECT   14   15   29   30
CONECT   15   16   16   17
CONECT   17   31
END

HMDB0258893
     RDKit          3D
Glycylglycylglycylglycine
 31 30  0  0  0  0  0  0  0  0999 V2000
    5.4267    2.1768    1.0832 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1431    1.5928   -0.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7130    1.2864   -0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3200    0.7733   -1.4552 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7808    1.5687    0.6265 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652    1.2986    0.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0712   -0.1227    0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611   -1.0150    0.2202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2852   -0.5343    0.1668 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6341   -1.9159   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0773   -2.1816   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4594   -3.4009   -0.3519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1210   -1.2396   -0.0847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5155   -1.6165   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4047   -0.4347   -0.0949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8995    0.6929    0.0901 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7672   -0.5965   -0.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8659    3.0383    1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4686    1.5107    1.8615 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7728    0.6568   -0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5434    2.2364   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1289    2.0046    1.5294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9809    1.8600   -0.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8572    1.6441    1.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0178    0.1908    0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914   -2.2317   -1.0385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -2.5646    0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173   -0.2389    0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7095   -2.1841   -1.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7381   -2.2538    0.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4644   -0.0005    0.1873 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  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  2 20  1  0
  2 21  1  0
  5 22  1  0
  6 23  1  0
  6 24  1  0
  9 25  1  0
 10 26  1  0
 10 27  1  0
 13 28  1  0
 14 29  1  0
 14 30  1  0
 17 31  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
2-{[2-({2-[(2-amino-1-hydroxyethylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxyethylidene]amino}acetate	HMDB
(Gly)4	HMDB
Gly-gly-gly-gly	HMDB
Glycyl-glycyl-glycyl-glycine	HMDB

Chemical Formula

C₈H₁₄N₄O₅

Average Molecular Weight

246.223

Monoisotopic Molecular Weight

246.096419567

IUPAC Name

2-{2-[2-(2-aminoacetamido)acetamido]acetamido}acetic acid

Traditional Name

{2-[2-(2-aminoacetamido)acetamido]acetamido}acetic acid

CAS Registry Number

Not Available

SMILES

NCC(=O)NCC(=O)NCC(=O)NCC(O)=O

InChI Identifier

InChI=1S/C8H14N4O5/c9-1-5(13)10-2-6(14)11-3-7(15)12-4-8(16)17/h1-4,9H2,(H,10,13)(H,11,14)(H,12,15)(H,16,17)

InChI Key

QMOQBVOBWVNSNO-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amino acid or derivatives
Carboxamide group
Amino acid
Secondary carboxylic acid amide
Monocarboxylic acid or derivatives
Carboxylic acid
Organonitrogen compound
Organic oxygen compound
Organic oxide
Primary aliphatic amine
Organic nitrogen compound
Carbonyl group
Amine
Organooxygen compound
Primary amine
Organopnictogen compound
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-3.1	ALOGPS
logP	-6.7	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	3.34	ChemAxon
pKa (Strongest Basic)	7.84	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	150.62 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	54.41 m³·mol⁻¹	ChemAxon
Polarizability	22.81 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	147.961	30932474
DeepCCS	[M-H]-	145.275	30932474
DeepCCS	[M-2H]-	180.771	30932474
DeepCCS	[M+Na]+	156.309	30932474
AllCCS	[M+H]+	148.9	32859911
AllCCS	[M+H-H2O]+	145.8	32859911
AllCCS	[M+NH4]+	151.9	32859911
AllCCS	[M+Na]+	152.7	32859911
AllCCS	[M-H]-	153.9	32859911
AllCCS	[M+Na-2H]-	154.2	32859911
AllCCS	[M+HCOO]-	154.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycylglycylglycylglycine	NCC(=O)NCC(=O)NCC(=O)NCC(O)=O	3358.8	Standard polar	33892256
Glycylglycylglycylglycine	NCC(=O)NCC(=O)NCC(=O)NCC(O)=O	2137.2	Standard non polar	33892256
Glycylglycylglycylglycine	NCC(=O)NCC(=O)NCC(=O)NCC(O)=O	2900.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycylglycylglycylglycine,2TMS,isomer #1	C[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C	2685.6	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #1	C[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C	2523.0	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #1	C[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C	4387.3	Standard polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #10	C[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C	2532.3	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #10	C[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C	2617.4	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #10	C[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C	4271.9	Standard polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #11	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C	2529.5	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #11	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C	2571.2	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #11	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C	4594.3	Standard polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN)[Si](C)(C)C	2598.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN)[Si](C)(C)C	2485.7	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN)[Si](C)(C)C	4711.3	Standard polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C	2599.3	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C	2511.0	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C	4695.8	Standard polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C	2583.2	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C	2559.1	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #4	C[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C	4377.8	Standard polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #5	C[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C	2737.1	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #5	C[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C	2643.9	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #5	C[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C	4422.5	Standard polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #6	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C	2661.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #6	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C	2611.6	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #6	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C	4266.8	Standard polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #7	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C	2664.8	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #7	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C	2601.8	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #7	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C	4261.1	Standard polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #8	C[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C	2649.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #8	C[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C	2606.8	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #8	C[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C	4221.2	Standard polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #9	C[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN)[Si](C)(C)C	2518.2	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #9	C[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN)[Si](C)(C)C	2598.5	Standard non polar	33892256
Glycylglycylglycylglycine,2TMS,isomer #9	C[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN)[Si](C)(C)C	4346.0	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2826.1	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2669.1	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #1	C[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C	3881.0	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #10	C[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2779.0	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #10	C[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2752.5	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #10	C[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C	3744.6	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #11	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2600.0	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #11	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2705.6	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #11	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C)[Si](C)(C)C	3674.9	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #12	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2590.6	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #12	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2730.2	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #12	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	3632.4	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #13	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2581.7	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #13	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	2701.2	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #13	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C	3655.3	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #14	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2474.4	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #14	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2658.2	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #14	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3887.1	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #2	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2624.2	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #2	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2636.2	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #2	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3762.5	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #3	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2609.7	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #3	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	2622.7	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #3	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C	3728.4	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #4	C[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2616.1	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #4	C[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	2591.3	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #4	C[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3774.7	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2527.3	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2557.4	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #5	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4248.4	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #6	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2496.4	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #6	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2597.2	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #6	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3970.5	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2495.0	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	2601.0	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #7	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3973.5	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #8	C[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)O)C(=O)CN([Si](C)(C)C)[Si](C)(C)C	2766.5	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #8	C[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)O)C(=O)CN([Si](C)(C)C)[Si](C)(C)C	2728.4	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #8	C[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)O)C(=O)CN([Si](C)(C)C)[Si](C)(C)C	3766.8	Standard polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #9	C[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2780.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #9	C[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C	2753.3	Standard non polar	33892256
Glycylglycylglycylglycine,3TMS,isomer #9	C[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C	3761.6	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2754.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2712.1	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3404.9	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #10	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2736.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #10	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2820.9	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #10	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3319.3	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #11	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2553.7	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #11	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2752.5	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #11	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3229.0	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2768.4	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2742.5	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #2	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3353.2	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2779.0	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2720.8	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3389.6	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #4	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2548.6	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #4	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2679.4	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #4	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3237.5	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #5	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2525.7	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #5	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2670.3	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #5	C[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3272.2	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #6	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2549.6	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #6	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2635.7	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #6	C[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3270.7	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #7	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2488.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #7	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2605.3	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #7	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3662.0	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #8	C[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2735.5	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #8	C[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2801.2	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #8	C[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3344.1	Standard polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #9	C[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2752.6	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #9	C[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2813.1	Standard non polar	33892256
Glycylglycylglycylglycine,4TMS,isomer #9	C[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3315.6	Standard polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2733.1	Semi standard non polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2750.4	Standard non polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3018.5	Standard polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2734.2	Semi standard non polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2748.6	Standard non polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #2	C[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3028.8	Standard polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2747.4	Semi standard non polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2758.9	Standard non polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #3	C[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2999.4	Standard polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #4	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2544.5	Semi standard non polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #4	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2700.2	Standard non polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #4	C[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2912.1	Standard polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #5	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2725.2	Semi standard non polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #5	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2833.7	Standard non polar	33892256
Glycylglycylglycylglycine,5TMS,isomer #5	C[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3014.1	Standard polar	33892256
Glycylglycylglycylglycine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2744.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2798.2	Standard non polar	33892256
Glycylglycylglycylglycine,6TMS,isomer #1	C[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2771.4	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3171.5	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	2931.9	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4033.8	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C	3051.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C	2941.4	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C	4053.9	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C	3056.5	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C	2912.4	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C	4270.5	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C	3117.5	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C	2880.1	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C	4351.1	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C	3141.1	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C	2895.7	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C	4336.8	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C	3099.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C	2919.8	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C	4137.5	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3200.3	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	2973.3	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	4125.7	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3144.0	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	2975.9	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3939.8	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3151.8	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	2981.3	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C	3929.7	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3137.6	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	2973.0	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3931.6	Standard polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C	3041.7	Semi standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C	2944.7	Standard non polar	33892256
Glycylglycylglycylglycine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C	4089.4	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3449.4	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3179.9	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3708.6	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3423.2	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3218.9	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3645.9	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3308.6	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3209.8	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3595.7	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3327.8	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3208.4	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3572.3	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3294.8	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3196.6	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3583.3	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3189.8	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3132.9	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3787.1	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3344.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3158.1	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3619.0	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3345.0	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3163.7	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3588.4	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3328.1	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3141.4	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3634.3	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3239.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3098.6	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3970.9	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3240.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3110.3	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3812.5	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3223.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3108.9	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3815.1	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)O)C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3418.4	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)O)C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3211.5	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)NCC(=O)O)C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3663.0	Standard polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3437.2	Semi standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3235.0	Standard non polar	33892256
Glycylglycylglycylglycine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3638.4	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3617.1	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3363.2	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3487.9	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3591.1	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3407.5	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3460.5	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3434.0	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3360.7	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3438.6	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3633.4	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3381.9	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3448.0	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3618.8	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3366.5	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3486.9	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3479.4	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3330.0	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3415.2	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3492.3	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3325.2	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)NCC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3429.7	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3455.6	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3313.7	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCC(=O)NCC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3436.0	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3390.6	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3274.8	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CN(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3670.9	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3601.3	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3415.8	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(CC(=O)NCC(=O)O)C(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3484.3	Standard polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3606.7	Semi standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3402.0	Standard non polar	33892256
Glycylglycylglycylglycine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3465.8	Standard polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3800.8	Semi standard non polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3541.7	Standard non polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CN(C(=O)CNC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3322.4	Standard polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3810.2	Semi standard non polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3538.0	Standard non polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)CNC(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3329.4	Standard polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3802.9	Semi standard non polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3544.1	Standard non polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3317.6	Standard polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3631.7	Semi standard non polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3492.4	Standard non polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCC(=O)N(CC(=O)N(CC(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3312.2	Standard polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3776.5	Semi standard non polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3574.2	Standard non polar	33892256
Glycylglycylglycylglycine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)CN(C(=O)CN(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3339.5	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0khl-9510000000-203f57e299b24b0a6807	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylglycylglycylglycine GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

62688

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

69481

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Glycylglycylglycylglycine (HMDB0258893)

MOL for HMDB0258893 (Glycylglycylglycylglycine)

3D MOL for HMDB0258893 (Glycylglycylglycylglycine)

3D SDF for HMDB0258893 (Glycylglycylglycylglycine)

3D-SDF for HMDB0258893 (Glycylglycylglycylglycine)

PDB for HMDB0258893 (Glycylglycylglycylglycine)

3D PDB for HMDB0258893 (Glycylglycylglycylglycine)

SMILES for HMDB0258893 (Glycylglycylglycylglycine)

INCHI for HMDB0258893 (Glycylglycylglycylglycine)

Structure for HMDB0258893 (Glycylglycylglycylglycine)

3D Structure for HMDB0258893 (Glycylglycylglycylglycine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra