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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-12-19 20:27:44 UTC

Update Date

2021-09-14 15:37:14 UTC

HMDB ID

HMDB0005773

Secondary Accession Numbers

HMDB05773

Metabolite Identification

Common Name

Endomorphin-1

Description

Endomorphin-1 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. Endomorphin-1 has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make endomorphin-1 a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Endomorphin-1.

Structure

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


  Mrv0541 02231220292D          

 45 49  0  0  1  0            999 V2000
   16.2637   -9.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6047   -8.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6602  -11.9247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6330  -12.0285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3758   -3.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8434   -7.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6219   -9.7423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7821   -6.9578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7238  -10.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019  -12.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3384  -10.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3271   -8.3441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.1122   -8.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1137   -7.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3294   -7.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0709   -9.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0184   -7.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6071   -6.9593    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.3656  -10.5265    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.5584  -10.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0209   -6.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9166  -11.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3132  -13.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9278  -13.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 16  2  0  0  0  0
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  3 22  2  0  0  0  0
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 41 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43 45  2  0  0  0  0
 44 45  1  0  0  0  0
M  END

HMDB0005773
     RDKit          3D
Endomorphin-1
 83 87  0  0  0  0  0  0  0  0999 V2000
    7.0510    1.7963   -0.4333 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9666    1.0980    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609    0.0592    0.7845 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2614    2.8911    0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0755    3.9122   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    4.4894   -1.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334    5.4466   -1.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
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 43 81  1  0
 44 82  1  0
 45 83  1  0
M  END


  Mrv0541 02231220292D          

 45 49  0  0  1  0            999 V2000
   16.2637   -9.2984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6047   -8.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3758   -3.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8434   -7.6759    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6219   -9.7423    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7821   -6.9578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.7238  -10.9705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3019  -12.8086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3384  -10.6302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.3271   -8.3441    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.1137   -7.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.0709   -9.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5584  -10.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   20.6714  -14.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 17  2  0  0  0  0
  3 22  2  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0005773

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1

> <INCHI_KEY>
ZEXLJFNSKAHNFH-SYKYGTKKSA-N

> <FORMULA>
C34H38N6O5

> <MOLECULAR_WEIGHT>
610.7027

> <EXACT_MASS>
610.290368356

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
65.33747378233285

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-2-phenylethyl]-3-(1H-indol-3-yl)propanamide

> <ALOGPS_LOGP>
2.15

> <JCHEM_LOGP>
1.90198075011755

> <ALOGPS_LOGS>
-5.05

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.275525219676346

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.51039149969715

> <JCHEM_PKA_STRONGEST_BASIC>
7.719932883607533

> <JCHEM_POLAR_SURFACE_AREA>
183.64000000000001

> <JCHEM_REFRACTIVITY>
168.8251999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.40e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-2-phenylethyl]-3-(1H-indol-3-yl)propanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0005773
     RDKit          3D
Endomorphin-1
 83 87  0  0  0  0  0  0  0  0999 V2000
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M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      30.359 -17.357   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      29.129 -15.658   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      32.966 -22.259   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      38.515 -22.453   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      26.835  -6.318   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0      31.441 -14.328   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0      32.894 -18.186   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      27.593 -12.988   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      34.951 -20.478   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      30.430 -23.909   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      37.965 -19.843   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      32.344 -15.576   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      33.809 -15.102   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      33.812 -13.562   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      32.348 -13.084   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      31.866 -17.039   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      29.901 -14.326   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      29.133 -12.991   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      32.416 -19.649   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      30.909 -19.967   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      29.906 -11.658   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      33.444 -20.796   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      30.430 -21.431   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      29.138 -10.323   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      28.973 -21.900   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      35.980 -21.624   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      31.329 -22.670   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      28.973 -23.440   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      35.501 -23.088   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      29.910  -8.991   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      27.598 -10.321   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      27.640 -21.130   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      27.640 -24.210   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      37.487 -21.307   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      36.530 -24.234   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      26.306 -21.900   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      29.143  -7.656   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      26.830  -8.986   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      26.306 -23.440   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      27.603  -7.653   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      38.036 -23.917   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      36.051 -25.698   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      39.065 -25.063   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      37.080 -26.845   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      38.587 -26.527   0.000  0.00  0.00           C+0
CONECT    1   16                                                            
CONECT    2   17                                                            
CONECT    3   22                                                            
CONECT    4   34                                                            
CONECT    5   40                                                            
CONECT    6   12   15   17                                                  
CONECT    7   16   19                                                       
CONECT    8   18                                                            
CONECT    9   22   26                                                       
CONECT   10   27   28                                                       
CONECT   11   34                                                            
CONECT   12    6   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15    6   14                                                       
CONECT   16    1    7   12                                                  
CONECT   17    2    6   18                                                  
CONECT   18    8   17   21                                                  
CONECT   19    7   20   22                                                  
CONECT   20   19   23                                                       
CONECT   21   18   24                                                       
CONECT   22    3    9   19                                                  
CONECT   23   20   25   27                                                  
CONECT   24   21   30   31                                                  
CONECT   25   23   28   32                                                  
CONECT   26    9   29   34                                                  
CONECT   27   10   23                                                       
CONECT   28   10   25   33                                                  
CONECT   29   26   35                                                       
CONECT   30   24   37                                                       
CONECT   31   24   38                                                       
CONECT   32   25   36                                                       
CONECT   33   28   39                                                       
CONECT   34    4   11   26                                                  
CONECT   35   29   41   42                                                  
CONECT   36   32   39                                                       
CONECT   37   30   40                                                       
CONECT   38   31   40                                                       
CONECT   39   33   36                                                       
CONECT   40    5   37   38                                                  
CONECT   41   35   43                                                       
CONECT   42   35   44                                                       
CONECT   43   41   45                                                       
CONECT   44   42   45                                                       
CONECT   45   43   44                                                       
MASTER        0    0    0    0    0    0    0    0   45    0   98    0
END

COMPND    HMDB0005773
HETATM    1  N1  UNL     1       7.051   1.796  -0.433  1.00  0.00           N  
HETATM    2  C1  UNL     1       5.967   1.098   0.148  1.00  0.00           C  
HETATM    3  O1  UNL     1       6.261   0.059   0.785  1.00  0.00           O  
HETATM    4  C2  UNL     1       4.568   1.535   0.028  1.00  0.00           C  
HETATM    5  C3  UNL     1       4.261   2.891   0.586  1.00  0.00           C  
HETATM    6  C4  UNL     1       5.075   3.912  -0.115  1.00  0.00           C  
HETATM    7  C5  UNL     1       4.635   4.489  -1.291  1.00  0.00           C  
HETATM    8  C6  UNL     1       5.333   5.447  -1.981  1.00  0.00           C  
HETATM    9  C7  UNL     1       6.543   5.866  -1.488  1.00  0.00           C  
HETATM   10  C8  UNL     1       7.023   5.307  -0.302  1.00  0.00           C  
HETATM   11  C9  UNL     1       6.293   4.348   0.363  1.00  0.00           C  
HETATM   12  N2  UNL     1       3.723   0.540   0.684  1.00  0.00           N  
HETATM   13  C10 UNL     1       2.733  -0.175   0.004  1.00  0.00           C  
HETATM   14  O2  UNL     1       2.512  -0.014  -1.210  1.00  0.00           O  
HETATM   15  C11 UNL     1       1.905  -1.168   0.761  1.00  0.00           C  
HETATM   16  C12 UNL     1       2.729  -2.155   1.485  1.00  0.00           C  
HETATM   17  C13 UNL     1       2.015  -3.190   2.252  1.00  0.00           C  
HETATM   18  C14 UNL     1       1.657  -3.100   3.607  1.00  0.00           C  
HETATM   19  N3  UNL     1       0.976  -4.198   3.957  1.00  0.00           N  
HETATM   20  C15 UNL     1       0.869  -5.016   2.883  1.00  0.00           C  
HETATM   21  C16 UNL     1       0.285  -6.265   2.707  1.00  0.00           C  
HETATM   22  C17 UNL     1       0.363  -6.855   1.477  1.00  0.00           C  
HETATM   23  C18 UNL     1       1.010  -6.240   0.407  1.00  0.00           C  
HETATM   24  C19 UNL     1       1.589  -5.007   0.576  1.00  0.00           C  
HETATM   25  C20 UNL     1       1.502  -4.408   1.837  1.00  0.00           C  
HETATM   26  N4  UNL     1       0.957  -1.757  -0.125  1.00  0.00           N  
HETATM   27  C21 UNL     1      -0.386  -1.300  -0.111  1.00  0.00           C  
HETATM   28  O3  UNL     1      -0.689  -0.379   0.688  1.00  0.00           O  
HETATM   29  C22 UNL     1      -1.429  -1.853  -0.985  1.00  0.00           C  
HETATM   30  C23 UNL     1      -1.053  -2.073  -2.403  1.00  0.00           C  
HETATM   31  C24 UNL     1      -1.403  -0.811  -3.122  1.00  0.00           C  
HETATM   32  C25 UNL     1      -2.607  -0.301  -2.346  1.00  0.00           C  
HETATM   33  N5  UNL     1      -2.522  -0.886  -1.039  1.00  0.00           N  
HETATM   34  C26 UNL     1      -3.323  -0.612   0.088  1.00  0.00           C  
HETATM   35  O4  UNL     1      -3.126  -1.226   1.190  1.00  0.00           O  
HETATM   36  C27 UNL     1      -4.410   0.388   0.030  1.00  0.00           C  
HETATM   37  N6  UNL     1      -4.617   0.774  -1.344  1.00  0.00           N  
HETATM   38  C28 UNL     1      -5.681  -0.079   0.715  1.00  0.00           C  
HETATM   39  C29 UNL     1      -6.676   1.011   0.596  1.00  0.00           C  
HETATM   40  C30 UNL     1      -7.610   1.104  -0.399  1.00  0.00           C  
HETATM   41  C31 UNL     1      -8.495   2.154  -0.458  1.00  0.00           C  
HETATM   42  C32 UNL     1      -8.419   3.124   0.521  1.00  0.00           C  
HETATM   43  O5  UNL     1      -9.320   4.199   0.465  1.00  0.00           O  
HETATM   44  C33 UNL     1      -7.487   3.049   1.530  1.00  0.00           C  
HETATM   45  C34 UNL     1      -6.620   1.992   1.563  1.00  0.00           C  
HETATM   46  H1  UNL     1       7.027   2.169  -1.392  1.00  0.00           H  
HETATM   47  H2  UNL     1       7.910   1.940   0.138  1.00  0.00           H  
HETATM   48  H3  UNL     1       4.229   1.560  -1.049  1.00  0.00           H  
HETATM   49  H4  UNL     1       4.502   2.945   1.672  1.00  0.00           H  
HETATM   50  H5  UNL     1       3.203   3.173   0.432  1.00  0.00           H  
HETATM   51  H6  UNL     1       3.668   4.140  -1.670  1.00  0.00           H  
HETATM   52  H7  UNL     1       4.961   5.875  -2.889  1.00  0.00           H  
HETATM   53  H8  UNL     1       7.101   6.611  -2.023  1.00  0.00           H  
HETATM   54  H9  UNL     1       7.978   5.655   0.072  1.00  0.00           H  
HETATM   55  H10 UNL     1       6.706   3.941   1.292  1.00  0.00           H  
HETATM   56  H11 UNL     1       3.893   0.390   1.697  1.00  0.00           H  
HETATM   57  H12 UNL     1       1.384  -0.507   1.529  1.00  0.00           H  
HETATM   58  H13 UNL     1       3.412  -2.646   0.748  1.00  0.00           H  
HETATM   59  H14 UNL     1       3.427  -1.632   2.199  1.00  0.00           H  
HETATM   60  H15 UNL     1       1.899  -2.262   4.265  1.00  0.00           H  
HETATM   61  H16 UNL     1       0.563  -4.440   4.904  1.00  0.00           H  
HETATM   62  H17 UNL     1      -0.203  -6.708   3.563  1.00  0.00           H  
HETATM   63  H18 UNL     1      -0.081  -7.821   1.310  1.00  0.00           H  
HETATM   64  H19 UNL     1       1.057  -6.742  -0.557  1.00  0.00           H  
HETATM   65  H20 UNL     1       2.118  -4.512  -0.242  1.00  0.00           H  
HETATM   66  H21 UNL     1       1.221  -2.493  -0.788  1.00  0.00           H  
HETATM   67  H22 UNL     1      -1.761  -2.803  -0.511  1.00  0.00           H  
HETATM   68  H23 UNL     1      -1.726  -2.880  -2.805  1.00  0.00           H  
HETATM   69  H24 UNL     1      -0.034  -2.445  -2.565  1.00  0.00           H  
HETATM   70  H25 UNL     1      -0.549  -0.105  -3.090  1.00  0.00           H  
HETATM   71  H26 UNL     1      -1.701  -1.061  -4.163  1.00  0.00           H  
HETATM   72  H27 UNL     1      -2.533   0.813  -2.347  1.00  0.00           H  
HETATM   73  H28 UNL     1      -3.512  -0.589  -2.922  1.00  0.00           H  
HETATM   74  H29 UNL     1      -4.019   1.278   0.629  1.00  0.00           H  
HETATM   75  H30 UNL     1      -5.400   0.245  -1.779  1.00  0.00           H  
HETATM   76  H31 UNL     1      -4.958   1.786  -1.299  1.00  0.00           H  
HETATM   77  H32 UNL     1      -5.513  -0.442   1.728  1.00  0.00           H  
HETATM   78  H33 UNL     1      -6.084  -0.924   0.094  1.00  0.00           H  
HETATM   79  H34 UNL     1      -7.646   0.321  -1.153  1.00  0.00           H  
HETATM   80  H35 UNL     1      -9.205   2.159  -1.263  1.00  0.00           H  
HETATM   81  H36 UNL     1     -10.004   4.250  -0.278  1.00  0.00           H  
HETATM   82  H37 UNL     1      -7.420   3.810   2.309  1.00  0.00           H  
HETATM   83  H38 UNL     1      -5.872   1.935   2.374  1.00  0.00           H  
CONECT    1    2   46   47
CONECT    2    3    3    4
CONECT    4    5   12   48
CONECT    5    6   49   50
CONECT    6    7    7   11
CONECT    7    8   51
CONECT    8    9    9   52
CONECT    9   10   53
CONECT   10   11   11   54
CONECT   11   55
CONECT   12   13   56
CONECT   13   14   14   15
CONECT   15   16   26   57
CONECT   16   17   58   59
CONECT   17   18   18   25
CONECT   18   19   60
CONECT   19   20   61
CONECT   20   21   21   25
CONECT   21   22   62
CONECT   22   23   23   63
CONECT   23   24   64
CONECT   24   25   25   65
CONECT   26   27   66
CONECT   27   28   28   29
CONECT   29   30   33   67
CONECT   30   31   68   69
CONECT   31   32   70   71
CONECT   32   33   72   73
CONECT   33   34
CONECT   34   35   35   36
CONECT   36   37   38   74
CONECT   37   75   76
CONECT   38   39   77   78
CONECT   39   40   40   45
CONECT   40   41   79
CONECT   41   42   42   80
CONECT   42   43   44
CONECT   43   81
CONECT   44   45   45   82
CONECT   45   83
END

HMDB0005773
     RDKit          3D
Endomorphin-1
 83 87  0  0  0  0  0  0  0  0999 V2000
    7.0510    1.7963   -0.4333 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9666    1.0980    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609    0.0592    0.7845 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5681    1.5346    0.0279 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2614    2.8911    0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0755    3.9122   -0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    4.4894   -1.2912 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334    5.4466   -1.9809 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428    5.8657   -1.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0230    5.3073   -0.3017 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2930    4.3481    0.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7226    0.5404    0.6837 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7331   -0.1748    0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5125   -0.0140   -1.2101 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9055   -1.1684    0.7611 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7288   -2.1551    1.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0153   -3.1900    2.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567   -3.0998    3.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9757   -4.1978    3.9570 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8691   -5.0158    2.8829 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2847   -6.2647    2.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3630   -6.8548    1.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0104   -6.2400    0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5894   -5.0071    0.5757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025   -4.4079    1.8368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9575   -1.7568   -0.1254 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3860   -1.3002   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6892   -0.3791    0.6876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4294   -1.8529   -0.9847 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0527   -2.0730   -2.4026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4029   -0.8107   -3.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6071   -0.3009   -2.3457 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5217   -0.8855   -1.0388 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3235   -0.6118    0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1261   -1.2255    1.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4095    0.3882    0.0304 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6173    0.7735   -1.3440 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6814   -0.0786    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6762    1.0115    0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6101    1.1038   -0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4951    2.1542   -0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4190    3.1243    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3202    4.1986    0.4648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4874    3.0486    1.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6202    1.9922    1.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0274    2.1687   -1.3918 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9101    1.9395    0.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2286    1.5598   -1.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5023    2.9451    1.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2031    3.1729    0.4323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6680    4.1396   -1.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9611    5.8749   -2.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1013    6.6105   -2.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9780    5.6547    0.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7062    3.9412    1.2917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8926    0.3896    1.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3841   -0.5069    1.5289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4115   -2.6456    0.7478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4271   -1.6322    2.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8993   -2.2623    4.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5630   -4.4404    4.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2034   -6.7075    3.5625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0812   -7.8211    1.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0573   -6.7420   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1177   -4.5123   -0.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2207   -2.4928   -0.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7610   -2.8033   -0.5113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -2.8801   -2.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0338   -2.4447   -2.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5492   -0.1047   -3.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7012   -1.0611   -4.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5327    0.8132   -2.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5116   -0.5890   -2.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0195    1.2784    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3999    0.2451   -1.7785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9576    1.7860   -1.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5129   -0.4423    1.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0839   -0.9238    0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6464    0.3210   -1.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2045    2.1593   -1.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0042    4.2498   -0.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4203    3.8098    2.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8724    1.9345    2.3743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
  4 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 15 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 42 44  1  0
 44 45  2  0
 11  6  1  0
 25 17  1  0
 33 29  1  0
 45 39  1  0
 25 20  1  0
  1 46  1  0
  1 47  1  0
  4 48  1  6
  5 49  1  0
  5 50  1  0
  7 51  1  0
  8 52  1  0
  9 53  1  0
 10 54  1  0
 11 55  1  0
 12 56  1  0
 15 57  1  1
 16 58  1  0
 16 59  1  0
 18 60  1  0
 19 61  1  0
 21 62  1  0
 22 63  1  0
 23 64  1  0
 24 65  1  0
 26 66  1  0
 29 67  1  1
 30 68  1  0
 30 69  1  0
 31 70  1  0
 31 71  1  0
 32 72  1  0
 32 73  1  0
 36 74  1  1
 37 75  1  0
 37 76  1  0
 38 77  1  0
 38 78  1  0
 40 79  1  0
 41 80  1  0
 43 81  1  0
 44 82  1  0
 45 83  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Endomorphin 1	ChEMBL, HMDB
H-Tyr-pro-TRP-phe-NH2	HMDB
(DMT1)Endomorphin-1	MeSH, HMDB
Tyr-pro-TRP-phe-NH2	MeSH, HMDB
Tyrosyl-prolyl-tryptophyl-phenylalaninamide	MeSH, HMDB
(2S)-2-({[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-N-[(1S)-1-(C-hydroxycarbonimidoyl)-2-phenylethyl]-3-(1H-indol-3-yl)propanimidate	Generator, HMDB
Endomorphin-1	MeSH

Chemical Formula

C₃₄H₃₈N₆O₅

Average Molecular Weight

610.7027

Monoisotopic Molecular Weight

610.290368356

IUPAC Name

(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-2-phenylethyl]-3-(1H-indol-3-yl)propanamide

Traditional Name

(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-carbamoyl-2-phenylethyl]-3-(1H-indol-3-yl)propanamide

CAS Registry Number

189388-22-5

SMILES

N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O

InChI Identifier

InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1

InChI Key

ZEXLJFNSKAHNFH-SYKYGTKKSA-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
Phenylalanine or derivatives
Proline or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Triptan
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
3-alkylindole
Indole
Indole or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Aralkylamine
Phenol
1-hydroxy-2-unsubstituted benzenoid
Fatty acyl
Benzenoid
Monocyclic benzene moiety
Fatty amide
Substituted pyrrole
Pyrrole
Pyrrolidine
Tertiary carboxylic acid amide
Heteroaromatic compound
Primary carboxylic acid amide
Amino acid or derivatives
Secondary carboxylic acid amide
Carboxamide group
Azacycle
Organoheterocyclic compound
Primary amine
Organic oxide
Amine
Hydrocarbon derivative
Carbonyl group
Primary aliphatic amine
Organopnictogen compound
Organic nitrogen compound
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0005773)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.0054 g/L	ALOGPS
logP	2.15	ALOGPS
logP	1.9	ChemAxon
logS	-5	ALOGPS
pKa (Strongest Acidic)	9.51	ChemAxon
pKa (Strongest Basic)	7.72	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	183.64 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	168.83 m³·mol⁻¹	ChemAxon
Polarizability	65.34 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	235.483	31661259
DarkChem	[M-H]-	227.54	31661259
DeepCCS	[M-2H]-	260.017	30932474
DeepCCS	[M+Na]+	234.395	30932474
AllCCS	[M+H]+	239.9	32859911
AllCCS	[M+H-H2O]+	239.0	32859911
AllCCS	[M+NH4]+	240.6	32859911
AllCCS	[M+Na]+	240.8	32859911
AllCCS	[M-H]-	220.8	32859911
AllCCS	[M+Na-2H]-	223.4	32859911
AllCCS	[M+HCOO]-	226.4	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	3.97 minutes	32390414
Predicted by Siyang on May 30, 2022	13.2533 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	4.87 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	85.2 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	2427.2 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	174.7 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	220.8 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	176.2 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	215.6 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	455.7 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	418.8 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	695.4 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	1132.6 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	575.6 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	1459.1 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	351.1 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	356.8 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	274.3 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	444.6 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	10.5 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Endomorphin-1	N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5885.6	Standard polar	33892256
Endomorphin-1	N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	3602.2	Standard non polar	33892256
Endomorphin-1	N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	6138.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Endomorphin-1,1TMS,isomer #1	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)C=C1	5515.7	Semi standard non polar	33892256
Endomorphin-1,1TMS,isomer #2	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5574.0	Semi standard non polar	33892256
Endomorphin-1,1TMS,isomer #3	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1	5534.9	Semi standard non polar	33892256
Endomorphin-1,1TMS,isomer #4	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5490.1	Semi standard non polar	33892256
Endomorphin-1,1TMS,isomer #5	C[Si](C)(C)N1C=C(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)C2=CC=CC=C21	5570.7	Semi standard non polar	33892256
Endomorphin-1,1TMS,isomer #6	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(N)=O	5507.0	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5451.8	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	4726.6	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	7890.4	Standard polar	33892256
Endomorphin-1,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5377.6	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4746.7	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7985.4	Standard polar	33892256
Endomorphin-1,2TMS,isomer #11	C[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	5472.4	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #11	C[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4897.1	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #11	C[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7885.5	Standard polar	33892256
Endomorphin-1,2TMS,isomer #12	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	5342.6	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #12	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4777.1	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #12	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7824.7	Standard polar	33892256
Endomorphin-1,2TMS,isomer #13	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1	5414.7	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #13	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1	4704.8	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #13	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1	7812.5	Standard polar	33892256
Endomorphin-1,2TMS,isomer #14	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	5331.0	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #14	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4759.5	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #14	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7833.2	Standard polar	33892256
Endomorphin-1,2TMS,isomer #15	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5363.7	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #15	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	4624.6	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #15	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	8409.1	Standard polar	33892256
Endomorphin-1,2TMS,isomer #16	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5277.2	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #16	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4681.4	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #16	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8352.2	Standard polar	33892256
Endomorphin-1,2TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(N)=O	5364.5	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(N)=O	4635.9	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #17	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(N)=O	8313.2	Standard polar	33892256
Endomorphin-1,2TMS,isomer #2	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1	5409.6	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #2	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1	4741.6	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #2	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1	7627.3	Standard polar	33892256
Endomorphin-1,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	5357.3	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	4633.9	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #3	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	8215.1	Standard polar	33892256
Endomorphin-1,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)C=C1	5434.5	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)C=C1	4556.9	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)C=C1	8178.9	Standard polar	33892256
Endomorphin-1,2TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	5360.1	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	4627.1	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #5	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	8121.1	Standard polar	33892256
Endomorphin-1,2TMS,isomer #6	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C	5427.2	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #6	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C	4908.6	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #6	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C	7560.1	Standard polar	33892256
Endomorphin-1,2TMS,isomer #7	C[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5558.1	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #7	C[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4858.5	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #7	C[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8197.9	Standard polar	33892256
Endomorphin-1,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5366.1	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4741.9	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #8	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	8067.9	Standard polar	33892256
Endomorphin-1,2TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5446.2	Semi standard non polar	33892256
Endomorphin-1,2TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	4677.8	Standard non polar	33892256
Endomorphin-1,2TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	8081.1	Standard polar	33892256
Endomorphin-1,3TMS,isomer #1	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C	5342.8	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #1	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C	4791.1	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #1	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C	7009.0	Standard polar	33892256
Endomorphin-1,3TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	5300.0	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	4469.6	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #10	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	7829.8	Standard polar	33892256
Endomorphin-1,3TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)C=C1	5233.4	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)C=C1	4575.6	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #11	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)C=C1	7774.8	Standard polar	33892256
Endomorphin-1,3TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	5290.0	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	4466.8	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)C=C1	7742.5	Standard polar	33892256
Endomorphin-1,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5368.7	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4932.9	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #13	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	7171.2	Standard polar	33892256
Endomorphin-1,3TMS,isomer #14	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	5274.8	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #14	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4822.6	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #14	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	7116.8	Standard polar	33892256
Endomorphin-1,3TMS,isomer #15	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C	5337.2	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #15	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C	4701.3	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #15	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C	7133.0	Standard polar	33892256
Endomorphin-1,3TMS,isomer #16	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	5265.1	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #16	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4811.1	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #16	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	7073.7	Standard polar	33892256
Endomorphin-1,3TMS,isomer #17	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	5432.7	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #17	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4907.1	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #17	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	7221.2	Standard polar	33892256
Endomorphin-1,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5450.8	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	4785.4	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #18	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	7732.4	Standard polar	33892256
Endomorphin-1,3TMS,isomer #19	C[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5497.5	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #19	C[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4723.0	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #19	C[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7763.8	Standard polar	33892256
Endomorphin-1,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5464.9	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4754.9	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #2	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	7584.8	Standard polar	33892256
Endomorphin-1,3TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(N)=O	5450.2	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(N)=O	4799.0	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #20	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(N)=O	7669.8	Standard polar	33892256
Endomorphin-1,3TMS,isomer #21	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5278.7	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #21	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4607.4	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #21	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7638.9	Standard polar	33892256
Endomorphin-1,3TMS,isomer #22	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	5198.2	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #22	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4707.2	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #22	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	7552.3	Standard polar	33892256
Endomorphin-1,3TMS,isomer #23	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5273.2	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #23	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4617.6	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #23	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7569.1	Standard polar	33892256
Endomorphin-1,3TMS,isomer #24	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5315.2	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #24	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4826.0	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #24	C[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	7458.2	Standard polar	33892256
Endomorphin-1,3TMS,isomer #25	C[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	5374.5	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #25	C[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4763.2	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #25	C[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7457.2	Standard polar	33892256
Endomorphin-1,3TMS,isomer #26	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5312.2	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #26	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4819.6	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #26	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	7456.3	Standard polar	33892256
Endomorphin-1,3TMS,isomer #27	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	5247.7	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #27	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4649.3	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #27	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7402.7	Standard polar	33892256
Endomorphin-1,3TMS,isomer #28	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	5175.8	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #28	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4726.5	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #28	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	7415.1	Standard polar	33892256
Endomorphin-1,3TMS,isomer #29	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	5240.8	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #29	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4626.8	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #29	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7411.2	Standard polar	33892256
Endomorphin-1,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5299.0	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4648.3	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #3	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7469.4	Standard polar	33892256
Endomorphin-1,3TMS,isomer #30	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5198.7	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #30	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4575.9	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #30	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7947.4	Standard polar	33892256
Endomorphin-1,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5390.6	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	4526.0	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #4	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	7490.1	Standard polar	33892256
Endomorphin-1,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5293.9	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4636.8	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #5	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7397.2	Standard polar	33892256
Endomorphin-1,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5365.0	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4784.6	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	7282.1	Standard polar	33892256
Endomorphin-1,3TMS,isomer #7	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	5252.8	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #7	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4668.5	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #7	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	7234.9	Standard polar	33892256
Endomorphin-1,3TMS,isomer #8	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1	5342.6	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #8	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1	4545.8	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #8	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1	7234.7	Standard polar	33892256
Endomorphin-1,3TMS,isomer #9	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	5249.6	Semi standard non polar	33892256
Endomorphin-1,3TMS,isomer #9	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4657.1	Standard non polar	33892256
Endomorphin-1,3TMS,isomer #9	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	7242.5	Standard polar	33892256
Endomorphin-1,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5334.0	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4829.5	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #1	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	6683.7	Standard polar	33892256
Endomorphin-1,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	5173.4	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4611.2	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #10	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	7054.9	Standard polar	33892256
Endomorphin-1,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5220.8	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4470.2	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #11	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7080.1	Standard polar	33892256
Endomorphin-1,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	5271.6	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4713.4	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	6948.7	Standard polar	33892256
Endomorphin-1,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5319.9	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4604.2	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #13	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	6958.5	Standard polar	33892256
Endomorphin-1,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	5282.5	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	4721.1	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #14	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C1	6952.1	Standard polar	33892256
Endomorphin-1,4TMS,isomer #15	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	5194.1	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #15	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4498.8	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #15	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	6920.0	Standard polar	33892256
Endomorphin-1,4TMS,isomer #16	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	5144.4	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #16	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	4626.0	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #16	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C)[Si](C)(C)C	6920.0	Standard polar	33892256
Endomorphin-1,4TMS,isomer #17	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	5199.9	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #17	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4484.9	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #17	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	6926.2	Standard polar	33892256
Endomorphin-1,4TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)C=C1	5196.3	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)C=C1	4448.9	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #18	C[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)[Si](C)(C)C)C=C1	7446.1	Standard polar	33892256
Endomorphin-1,4TMS,isomer #19	C[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5453.2	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #19	C[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4960.6	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #19	C[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6863.6	Standard polar	33892256
Endomorphin-1,4TMS,isomer #2	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	5226.6	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #2	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4720.9	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #2	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	6644.9	Standard polar	33892256
Endomorphin-1,4TMS,isomer #20	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5261.5	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #20	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4869.0	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #20	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6732.8	Standard polar	33892256
Endomorphin-1,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5297.9	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4750.1	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #21	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	6818.1	Standard polar	33892256
Endomorphin-1,4TMS,isomer #22	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5272.6	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #22	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4870.4	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #22	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6787.1	Standard polar	33892256
Endomorphin-1,4TMS,isomer #23	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	5181.7	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #23	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4657.5	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #23	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	6779.6	Standard polar	33892256
Endomorphin-1,4TMS,isomer #24	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5138.3	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #24	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4784.8	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #24	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6703.1	Standard polar	33892256
Endomorphin-1,4TMS,isomer #25	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5383.6	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #25	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4866.4	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #25	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6823.6	Standard polar	33892256
Endomorphin-1,4TMS,isomer #26	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	5184.3	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #26	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4639.4	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #26	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	6737.2	Standard polar	33892256
Endomorphin-1,4TMS,isomer #27	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	5413.5	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #27	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4742.5	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #27	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	6860.5	Standard polar	33892256
Endomorphin-1,4TMS,isomer #28	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5393.5	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #28	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4848.8	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #28	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6770.4	Standard polar	33892256
Endomorphin-1,4TMS,isomer #29	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5430.5	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #29	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	4662.9	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #29	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	7353.1	Standard polar	33892256
Endomorphin-1,4TMS,isomer #3	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C	5284.5	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #3	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C	4558.8	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #3	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C	6689.3	Standard polar	33892256
Endomorphin-1,4TMS,isomer #30	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5371.3	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #30	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4772.4	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #30	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7274.0	Standard polar	33892256
Endomorphin-1,4TMS,isomer #31	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(N)=O	5418.7	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #31	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(N)=O	4674.4	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #31	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=CC=C1)C(N)=O	7306.9	Standard polar	33892256
Endomorphin-1,4TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	5131.1	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4575.8	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #32	C[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C)[Si](C)(C)C	7209.1	Standard polar	33892256
Endomorphin-1,4TMS,isomer #33	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5276.5	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #33	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4703.7	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #33	C[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	7106.5	Standard polar	33892256
Endomorphin-1,4TMS,isomer #34	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5225.1	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #34	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4788.9	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #34	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7102.0	Standard polar	33892256
Endomorphin-1,4TMS,isomer #35	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	5246.8	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #35	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	4684.9	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #35	C[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N([Si](C)(C)C)[Si](C)(C)C	7104.8	Standard polar	33892256
Endomorphin-1,4TMS,isomer #36	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	5116.5	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #36	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	4592.3	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #36	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C)[Si](C)(C)C	7073.8	Standard polar	33892256
Endomorphin-1,4TMS,isomer #4	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	5218.9	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #4	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4714.4	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #4	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	6600.0	Standard polar	33892256
Endomorphin-1,4TMS,isomer #5	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	5400.1	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #5	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4810.3	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #5	C[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	6726.0	Standard polar	33892256
Endomorphin-1,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5429.0	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4689.4	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #6	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	7195.2	Standard polar	33892256
Endomorphin-1,4TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5470.2	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4580.2	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C=C1	7233.0	Standard polar	33892256
Endomorphin-1,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	5415.1	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	4690.0	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #8	C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C1	7147.3	Standard polar	33892256
Endomorphin-1,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	5242.8	Semi standard non polar	33892256
Endomorphin-1,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	4468.1	Standard non polar	33892256
Endomorphin-1,4TMS,isomer #9	C[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C	7134.4	Standard polar	33892256
Endomorphin-1,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)C=C1	5791.3	Semi standard non polar	33892256
Endomorphin-1,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5792.7	Semi standard non polar	33892256
Endomorphin-1,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1	5761.9	Semi standard non polar	33892256
Endomorphin-1,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5730.0	Semi standard non polar	33892256
Endomorphin-1,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N1C=C(C[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CC2=CC=C(O)C=C2)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)C2=CC=CC=C21	5773.0	Semi standard non polar	33892256
Endomorphin-1,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(N)=O	5739.5	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5874.6	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5060.2	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	7738.1	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5799.0	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5082.2	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	7781.8	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	5873.4	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	5170.3	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	7644.9	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	5755.5	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	5091.2	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)N(C(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	7611.7	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1	5815.2	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1	4990.1	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1	7622.3	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	5737.5	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	5072.3	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	7616.6	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5784.7	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	4923.2	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	8166.7	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5748.1	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5007.9	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N([C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	8106.9	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(N)=O	5799.5	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(N)=O	4940.1	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O)C=C1)[C@@H](CC1=CC=CC=C1)C(N)=O	8092.7	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	5816.0	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	5055.0	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1	7487.0	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C(C)(C)C)C=C1	5823.2	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C(C)(C)C)C=C1	4967.1	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N([C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C(C)(C)C)C=C1	8019.0	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)C=C1	5871.4	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)C=C1	4873.9	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=CN([Si](C)(C)C(C)(C)C)C3=CC=CC=C23)C(=O)N[C@@H](CC2=CC=CC=C2)C(N)=O)C=C1	8010.5	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C(C)(C)C)C=C1	5833.5	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C(C)(C)C)C=C1	4967.2	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC2=C[NH]C3=CC=CC=C23)C(=O)N([C@@H](CC2=CC=CC=C2)C(N)=O)[Si](C)(C)C(C)(C)C)C=C1	7945.6	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C	5823.2	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C	5197.6	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C	7399.9	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5982.6	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5141.6	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N([C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	7936.8	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5791.3	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	5074.5	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O)[Si](C)(C)C(C)(C)C	7836.9	Standard polar	33892256
Endomorphin-1,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	5865.2	Semi standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	4985.5	Standard non polar	33892256
Endomorphin-1,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O	7875.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (Non-derivatized) - 70eV, Positive	splash10-01bl-9840760000-e1462042be3a35cc48c4	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (1 TMS) - 70eV, Positive	splash10-0019-3950030000-3cfb504236224b14eb64	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS (TBDMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Endomorphin-1 GC-MS ("Endomorphin-1,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-20	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 10V, Positive-QTOF	splash10-03di-0962787000-08fed61e4a8e9103704f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 20V, Positive-QTOF	splash10-06dr-1931210000-8a328ec998de29d776c3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 40V, Positive-QTOF	splash10-0abi-5930000000-a012d3c9cffafe0aa1e8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 10V, Negative-QTOF	splash10-0a4i-0110449000-259fef8bc67f5c3130b3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 20V, Negative-QTOF	splash10-03ea-2764931000-9e7efa126e41c1719ad1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 40V, Negative-QTOF	splash10-0006-9741100000-7f04b5c5fb2273b7131a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 10V, Negative-QTOF	splash10-0a4i-0000109000-e20a2c480ec099b0435e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 20V, Negative-QTOF	splash10-0a4m-4423926000-36f7964f4b61c2bf2645	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 40V, Negative-QTOF	splash10-0kwf-6931200000-3fdae321b61b0dbe17d1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 10V, Positive-QTOF	splash10-03di-0300139000-4d51524d3e5a23acb99d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 20V, Positive-QTOF	splash10-06rm-0900321000-72f1692dd6486272e1e0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Endomorphin-1 40V, Positive-QTOF	splash10-00xu-4900000000-1192a5fe01b240f4f1c9	2021-09-22	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023763

KNApSAcK ID

Not Available

Chemspider ID

4470614

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Endomorphin-1

METLIN ID

Not Available

PubChem Compound

5311080

PDB ID

Not Available

ChEBI ID

239449

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Cardillo, Giuliana; Gentilucci, Luca; Qasem, Ahmed R.; Sgarzi, Fabio; Spampinato, Santi. Endomorphin-1 Analogues Containing b-Proline Are m-Opioid Receptor Agonists and Display Enhanced Enzymatic Hydrolysis Resistance. Journal of Medicinal Chemistry (2002

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Irnaten M, Aicher SA, Wang J, Venkatesan P, Evans C, Baxi S, Mendelowitz D: Mu-opioid receptors are located postsynaptically and endomorphin-1 inhibits voltage-gated calcium currents in premotor cardiac parasympathetic neurons in the rat nucleus ambiguus. Neuroscience. 2003;116(2):573-82. [PubMed:12559112 ]
Yu Y, Cui Y, Wang X, Fan YZ, Liu J, Yan X, Wang R: Endomorphin1 and endomorphin2, endogenous potent inhibitors of electrical field stimulation (EFS)-induced cholinergic contractions of rat isolated bronchus. Peptides. 2006 Jul;27(7):1846-51. Epub 2006 Mar 27. [PubMed:16564113 ]
Whitten RD, Martin-Schild S, Zadina JE, Albers HE: Endomorphin1-like immunoreactivity in the limbic system of Syrian hamsters (Mesocricetus auratus). Brain Res Bull. 2001 Dec;56(6):563-7. [PubMed:11786242 ]
Feng Y, Zhao QY, Chen Q, Wang R: Vasorelaxant responses to endomorphin1[psi] and endomorphin2[psi], analogues of endomorphins, in rat aorta rings. Pharmazie. 2005 Nov;60(11):851-5. [PubMed:16320949 ]
Yu Y, Wang CL, Cui Y, Fan YZ, Liu J, Shao X, Liu HM, Wang R: C-terminal amide to alcohol conversion changes the cardiovascular effects of endomorphins in anesthetized rats. Peptides. 2006 Jan;27(1):136-43. Epub 2005 Sep 1. [PubMed:16139930 ]
Koda Y, Liang MT, Blanchfield JT, Toth I: In vitro stability and permeability studies of liposomal delivery systems for a novel lipophilic endomorphin 1 analogue. Int J Pharm. 2008 May 22;356(1-2):37-43. doi: 10.1016/j.ijpharm.2007.12.036. Epub 2008 Jan 4. [PubMed:18272306 ]

Showing metabocard for Endomorphin-1 (HMDB0005773)

MOL for HMDB0005773 (Endomorphin-1)

3D MOL for HMDB0005773 (Endomorphin-1)

3D SDF for HMDB0005773 (Endomorphin-1)

3D-SDF for HMDB0005773 (Endomorphin-1)

PDB for HMDB0005773 (Endomorphin-1)

3D PDB for HMDB0005773 (Endomorphin-1)

SMILES for HMDB0005773 (Endomorphin-1)

INCHI for HMDB0005773 (Endomorphin-1)

Structure for HMDB0005773 (Endomorphin-1)

3D Structure for HMDB0005773 (Endomorphin-1)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra