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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 00:10:16 UTC

Update Date

2021-09-26 22:56:39 UTC

HMDB ID

HMDB0247158

Secondary Accession Numbers

None

Metabolite Identification

Common Name

[D-Met2, Pro5]-enkephalinamide

Description

[D-Met2, Pro5]-enkephalinamide belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review a small amount of articles have been published on [D-Met2, Pro5]-enkephalinamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). [d-met2, pro5]-enkephalinamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically [D-Met2, Pro5]-enkephalinamide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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


  Mrv1652309112102102D          

 43 45  0  0  0  0            999 V2000
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2894   -9.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5 31  1  0  0  0  0
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 40 41  2  0  0  0  0
 36 41  1  0  0  0  0
 39 42  1  0  0  0  0
 34 43  1  0  0  0  0
M  END

HMDB0247158
     RDKit          3D
[D-Met2, Pro5]-enkephalinamide
 83 85  0  0  0  0  0  0  0  0999 V2000
    5.3823   -4.1215    2.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865   -2.8560    3.2553 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9335   -2.6989    3.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3228   -2.1865    1.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5380    0.5347    0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819    1.4722   -0.1686 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0268    0.5763    0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891   -0.1894    1.3256 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6045    1.9623    0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
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 39 80  1  0
 40 81  1  0
 42 82  1  0
 42 83  1  0
M  END


  Mrv1652309112102102D          

 43 45  0  0  0  0            999 V2000
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2881   -7.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5749   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7171   -8.6625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
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  5 31  1  0  0  0  0
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 36 41  1  0  0  0  0
 39 42  1  0  0  0  0
 34 43  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0247158

> <DATABASE_NAME>
hmdb

> <SMILES>
CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)

> <INCHI_KEY>
UIRWGVLTPPSGEN-UHFFFAOYSA-N

> <FORMULA>
C30H40N6O6S

> <MOLECULAR_WEIGHT>
612.75

> <EXACT_MASS>
612.273004206

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
83

> <JCHEM_AVERAGE_POLARIZABILITY>
64.72874182049993

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido}acetamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide

> <ALOGPS_LOGP>
0.76

> <JCHEM_LOGP>
-0.30755715094907904

> <ALOGPS_LOGS>
-4.48

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.0363215240355

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.509702356082544

> <JCHEM_PKA_STRONGEST_BASIC>
7.726993828873359

> <JCHEM_POLAR_SURFACE_AREA>
196.95

> <JCHEM_REFRACTIVITY>
163.01189999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.02e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido}acetamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0247158
     RDKit          3D
[D-Met2, Pro5]-enkephalinamide
 83 85  0  0  0  0  0  0  0  0999 V2000
    5.3823   -4.1215    2.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8819    1.4722   -0.1686 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5891   -0.1894    1.3256 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6045    1.9623    0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
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 42 83  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM    2  S   UNK     0      14.670 -10.010   0.000  0.00  0.00           S+0
HETATM    3  C   UNK     0      14.670 -11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      16.004 -12.320   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.004 -13.860   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      14.670 -16.170   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      13.337 -13.860   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      10.669 -12.320   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       9.336 -14.630   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668 -14.630   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.668 -16.170   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.002 -16.940   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002 -18.480   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668 -19.250   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335 -18.480   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335 -16.940   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002 -12.320   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       9.336 -11.550   0.000  0.00  0.00           O+0
HETATM   23  N   UNK     0       6.668 -11.550   0.000  0.00  0.00           N+0
HETATM   24  C   UNK     0       5.262 -12.176   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.231 -11.032   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.001  -9.698   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       6.507 -10.018   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.652  -8.988   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       9.116  -9.464   0.000  0.00  0.00           O+0
HETATM   30  N   UNK     0       7.332  -7.482   0.000  0.00  0.00           N+0
HETATM   31  N   UNK     0      17.338 -14.630   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      18.672 -13.860   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      18.672 -12.320   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      20.005 -14.630   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      21.339 -13.860   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      22.673 -14.630   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      24.006 -13.860   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      25.340 -14.630   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      25.340 -16.170   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      24.006 -16.940   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      22.673 -16.170   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0      26.674 -16.940   0.000  0.00  0.00           O+0
HETATM   43  N   UNK     0      20.005 -16.170   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   31                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   20                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   15                                                       
CONECT   21   13   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   27                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   23   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31    5   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   43                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   41                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   42                                                  
CONECT   40   39   41                                                       
CONECT   41   40   36                                                       
CONECT   42   39                                                            
CONECT   43   34                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   90    0
END

COMPND    HMDB0247158
HETATM    1  C1  UNL     1       5.382  -4.121   2.177  1.00  0.00           C  
HETATM    2  S1  UNL     1       4.687  -2.856   3.255  1.00  0.00           S  
HETATM    3  C2  UNL     1       2.933  -2.699   3.141  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.323  -2.186   1.896  1.00  0.00           C  
HETATM    5  C4  UNL     1       2.633  -0.835   1.418  1.00  0.00           C  
HETATM    6  N1  UNL     1       3.980  -0.525   1.092  1.00  0.00           N  
HETATM    7  C5  UNL     1       4.538   0.535   0.378  1.00  0.00           C  
HETATM    8  O1  UNL     1       3.882   1.472  -0.169  1.00  0.00           O  
HETATM    9  C6  UNL     1       6.027   0.576   0.245  1.00  0.00           C  
HETATM   10  N2  UNL     1       6.589  -0.189   1.326  1.00  0.00           N  
HETATM   11  C7  UNL     1       6.604   1.962   0.277  1.00  0.00           C  
HETATM   12  C8  UNL     1       8.064   1.878   0.168  1.00  0.00           C  
HETATM   13  C9  UNL     1       8.863   1.716   1.271  1.00  0.00           C  
HETATM   14  C10 UNL     1      10.252   1.631   1.210  1.00  0.00           C  
HETATM   15  C11 UNL     1      10.867   1.713  -0.012  1.00  0.00           C  
HETATM   16  O2  UNL     1      12.267   1.640  -0.175  1.00  0.00           O  
HETATM   17  C12 UNL     1      10.078   1.878  -1.165  1.00  0.00           C  
HETATM   18  C13 UNL     1       8.714   1.954  -1.048  1.00  0.00           C  
HETATM   19  C14 UNL     1       1.763  -0.658   0.152  1.00  0.00           C  
HETATM   20  O3  UNL     1       2.269  -0.451  -0.901  1.00  0.00           O  
HETATM   21  N3  UNL     1       0.379  -0.752   0.416  1.00  0.00           N  
HETATM   22  C15 UNL     1      -0.634  -0.589  -0.582  1.00  0.00           C  
HETATM   23  C16 UNL     1      -2.017  -0.748  -0.062  1.00  0.00           C  
HETATM   24  O4  UNL     1      -2.241  -1.061   1.105  1.00  0.00           O  
HETATM   25  N4  UNL     1      -3.123  -0.528  -0.953  1.00  0.00           N  
HETATM   26  C17 UNL     1      -4.518  -0.677  -0.529  1.00  0.00           C  
HETATM   27  C18 UNL     1      -5.268  -1.409  -1.629  1.00  0.00           C  
HETATM   28  C19 UNL     1      -5.195  -0.643  -2.901  1.00  0.00           C  
HETATM   29  C20 UNL     1      -6.145   0.350  -3.127  1.00  0.00           C  
HETATM   30  C21 UNL     1      -6.102   1.110  -4.286  1.00  0.00           C  
HETATM   31  C22 UNL     1      -5.132   0.892  -5.210  1.00  0.00           C  
HETATM   32  C23 UNL     1      -4.199  -0.086  -4.990  1.00  0.00           C  
HETATM   33  C24 UNL     1      -4.214  -0.874  -3.827  1.00  0.00           C  
HETATM   34  C25 UNL     1      -5.022   0.664  -0.234  1.00  0.00           C  
HETATM   35  O5  UNL     1      -4.202   1.631  -0.483  1.00  0.00           O  
HETATM   36  N5  UNL     1      -6.279   1.010   0.288  1.00  0.00           N  
HETATM   37  C26 UNL     1      -6.678   2.398   0.600  1.00  0.00           C  
HETATM   38  C27 UNL     1      -8.140   2.503   0.300  1.00  0.00           C  
HETATM   39  C28 UNL     1      -8.611   1.088   0.088  1.00  0.00           C  
HETATM   40  C29 UNL     1      -7.440   0.262   0.647  1.00  0.00           C  
HETATM   41  C30 UNL     1      -7.681   0.171   2.120  1.00  0.00           C  
HETATM   42  N6  UNL     1      -8.836  -0.578   2.509  1.00  0.00           N  
HETATM   43  O6  UNL     1      -6.979   0.678   2.999  1.00  0.00           O  
HETATM   44  H1  UNL     1       4.709  -4.997   2.057  1.00  0.00           H  
HETATM   45  H2  UNL     1       5.493  -3.705   1.168  1.00  0.00           H  
HETATM   46  H3  UNL     1       6.341  -4.517   2.569  1.00  0.00           H  
HETATM   47  H4  UNL     1       2.496  -3.749   3.299  1.00  0.00           H  
HETATM   48  H5  UNL     1       2.473  -2.129   3.997  1.00  0.00           H  
HETATM   49  H6  UNL     1       1.209  -2.274   2.049  1.00  0.00           H  
HETATM   50  H7  UNL     1       2.476  -2.910   1.023  1.00  0.00           H  
HETATM   51  H8  UNL     1       2.252   0.005   2.081  1.00  0.00           H  
HETATM   52  H9  UNL     1       4.693  -1.249   1.442  1.00  0.00           H  
HETATM   53  H10 UNL     1       6.328   0.165  -0.771  1.00  0.00           H  
HETATM   54  H11 UNL     1       6.111  -0.008   2.200  1.00  0.00           H  
HETATM   55  H12 UNL     1       6.661  -1.183   1.058  1.00  0.00           H  
HETATM   56  H13 UNL     1       6.360   2.534   1.205  1.00  0.00           H  
HETATM   57  H14 UNL     1       6.230   2.602  -0.576  1.00  0.00           H  
HETATM   58  H15 UNL     1       8.426   1.639   2.270  1.00  0.00           H  
HETATM   59  H16 UNL     1      10.881   1.502   2.086  1.00  0.00           H  
HETATM   60  H17 UNL     1      12.821   1.525   0.684  1.00  0.00           H  
HETATM   61  H18 UNL     1      10.614   1.930  -2.096  1.00  0.00           H  
HETATM   62  H19 UNL     1       8.103   2.078  -1.958  1.00  0.00           H  
HETATM   63  H20 UNL     1       0.005  -0.936   1.398  1.00  0.00           H  
HETATM   64  H21 UNL     1      -0.590   0.408  -1.065  1.00  0.00           H  
HETATM   65  H22 UNL     1      -0.480  -1.432  -1.320  1.00  0.00           H  
HETATM   66  H23 UNL     1      -2.931  -0.240  -1.907  1.00  0.00           H  
HETATM   67  H24 UNL     1      -4.498  -1.288   0.393  1.00  0.00           H  
HETATM   68  H25 UNL     1      -4.789  -2.386  -1.817  1.00  0.00           H  
HETATM   69  H26 UNL     1      -6.310  -1.615  -1.385  1.00  0.00           H  
HETATM   70  H27 UNL     1      -6.928   0.555  -2.413  1.00  0.00           H  
HETATM   71  H28 UNL     1      -6.837   1.887  -4.489  1.00  0.00           H  
HETATM   72  H29 UNL     1      -5.102   1.497  -6.118  1.00  0.00           H  
HETATM   73  H30 UNL     1      -3.401  -0.289  -5.711  1.00  0.00           H  
HETATM   74  H31 UNL     1      -3.445  -1.651  -3.702  1.00  0.00           H  
HETATM   75  H32 UNL     1      -6.445   2.594   1.669  1.00  0.00           H  
HETATM   76  H33 UNL     1      -6.111   3.078  -0.046  1.00  0.00           H  
HETATM   77  H34 UNL     1      -8.370   3.089  -0.591  1.00  0.00           H  
HETATM   78  H35 UNL     1      -8.624   2.975   1.201  1.00  0.00           H  
HETATM   79  H36 UNL     1      -8.735   0.839  -0.973  1.00  0.00           H  
HETATM   80  H37 UNL     1      -9.522   0.897   0.709  1.00  0.00           H  
HETATM   81  H38 UNL     1      -7.491  -0.747   0.265  1.00  0.00           H  
HETATM   82  H39 UNL     1      -8.692  -1.503   2.944  1.00  0.00           H  
HETATM   83  H40 UNL     1      -9.819  -0.235   2.373  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3
CONECT    3    4   47   48
CONECT    4    5   49   50
CONECT    5    6   19   51
CONECT    6    7   52
CONECT    7    8    8    9
CONECT    9   10   11   53
CONECT   10   54   55
CONECT   11   12   56   57
CONECT   12   13   13   18
CONECT   13   14   58
CONECT   14   15   15   59
CONECT   15   16   17
CONECT   16   60
CONECT   17   18   18   61
CONECT   18   62
CONECT   19   20   20   21
CONECT   21   22   63
CONECT   22   23   64   65
CONECT   23   24   24   25
CONECT   25   26   66
CONECT   26   27   34   67
CONECT   27   28   68   69
CONECT   28   29   29   33
CONECT   29   30   70
CONECT   30   31   31   71
CONECT   31   32   72
CONECT   32   33   33   73
CONECT   33   74
CONECT   34   35   35   36
CONECT   36   37   40
CONECT   37   38   75   76
CONECT   38   39   77   78
CONECT   39   40   79   80
CONECT   40   41   81
CONECT   41   42   43   43
CONECT   42   82   83
END

HMDB0247158
     RDKit          3D
[D-Met2, Pro5]-enkephalinamide
 83 85  0  0  0  0  0  0  0  0999 V2000
    5.3823   -4.1215    2.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6865   -2.8560    3.2553 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9335   -2.6989    3.1407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3228   -2.1865    1.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6328   -0.8353    1.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9797   -0.5252    1.0915 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    0.5347    0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819    1.4722   -0.1686 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0268    0.5763    0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5891   -0.1894    1.3256 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6045    1.9623    0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0639    1.8775    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8631    1.7161    1.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2525    1.6306    1.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8670    1.7125   -0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2669    1.6403   -0.1749 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0785    1.8775   -1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7144    1.9542   -1.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631   -0.6584    0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2686   -0.4514   -0.9011 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3792   -0.7519    0.4157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6338   -0.5889   -0.5817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167   -0.7485   -0.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2409   -1.0609    1.1051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1227   -0.5280   -0.9532 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5177   -0.6772   -0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2678   -1.4090   -1.6294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1954   -0.6428   -2.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1448    0.3495   -3.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1020    1.1096   -4.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1319    0.8922   -5.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1985   -0.0858   -4.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2142   -0.8736   -3.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0220    0.6641   -0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2025    1.6315   -0.4825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2795    1.0098    0.2883 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6784    2.3983    0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1403    2.5035    0.3001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6114    1.0876    0.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4397    0.2624    0.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6812    0.1707    2.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8363   -0.5780    2.5090 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9788    0.6779    2.9990 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7087   -4.9972    2.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926   -3.7047    1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3408   -4.5166    2.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4961   -3.7490    3.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727   -2.1293    3.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2095   -2.2741    2.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4760   -2.9101    1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2523    0.0051    2.0812 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6931   -1.2487    1.4424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3275    0.1647   -0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1107   -0.0082    2.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6612   -1.1834    1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3599    2.5344    1.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2305    2.6021   -0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4255    1.6385    2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8808    1.5017    2.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8208    1.5249    0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6144    1.9304   -2.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1031    2.0785   -1.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0049   -0.9357    1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5897    0.4076   -1.0648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4795   -1.4318   -1.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9309   -0.2400   -1.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4983   -1.2880    0.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7886   -2.3858   -1.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3100   -1.6145   -1.3847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9279    0.5547   -2.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8367    1.8870   -4.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1025    1.4973   -6.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4008   -0.2894   -5.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4452   -1.6512   -3.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4446    2.5940    1.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1115    3.0780   -0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3700    3.0886   -0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6244    2.9755    1.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7348    0.8385   -0.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5217    0.8974    0.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4913   -0.7474    0.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6921   -1.5030    2.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8189   -0.2349    2.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 26 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  2  0
 18 12  1  0
 33 28  1  0
 40 36  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  3 47  1  0
  3 48  1  0
  4 49  1  0
  4 50  1  0
  5 51  1  0
  6 52  1  0
  9 53  1  0
 10 54  1  0
 10 55  1  0
 11 56  1  0
 11 57  1  0
 13 58  1  0
 14 59  1  0
 16 60  1  0
 17 61  1  0
 18 62  1  0
 21 63  1  0
 22 64  1  0
 22 65  1  0
 25 66  1  0
 26 67  1  0
 27 68  1  0
 27 69  1  0
 29 70  1  0
 30 71  1  0
 31 72  1  0
 32 73  1  0
 33 74  1  0
 37 75  1  0
 37 76  1  0
 38 77  1  0
 38 78  1  0
 39 79  1  0
 39 80  1  0
 40 81  1  0
 42 82  1  0
 42 83  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₃₀H₄₀N₆O₆S

Average Molecular Weight

612.75

Monoisotopic Molecular Weight

612.273004206

IUPAC Name

1-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido}acetamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide

Traditional Name

1-[2-(2-{2-[2-amino-3-(4-hydroxyphenyl)propanamido]-4-(methylsulfanyl)butanamido}acetamido)-3-phenylpropanoyl]pyrrolidine-2-carboxamide

CAS Registry Number

Not Available

SMILES

CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O

InChI Identifier

InChI=1S/C30H40N6O6S/c1-43-15-13-23(35-28(40)22(31)16-20-9-11-21(37)12-10-20)29(41)33-18-26(38)34-24(17-19-6-3-2-4-7-19)30(42)36-14-5-8-25(36)27(32)39/h2-4,6-7,9-12,22-25,37H,5,8,13-18,31H2,1H3,(H2,32,39)(H,33,41)(H,34,38)(H,35,40)

InChI Key

UIRWGVLTPPSGEN-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Tyrosine or derivatives
Phenylalanine or derivatives
Methionine or derivatives
Proline or derivatives
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
1-hydroxy-2-unsubstituted benzenoid
Phenol
Aralkylamine
Fatty acyl
Monocyclic benzene moiety
Benzenoid
N-acyl-amine
Fatty amide
Pyrrolidine
Tertiary carboxylic acid amide
Amino acid or derivatives
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxamide group
Azacycle
Organoheterocyclic compound
Dialkylthioether
Sulfenyl compound
Thioether
Primary aliphatic amine
Amine
Organic oxide
Carbonyl group
Organic oxygen compound
Organic nitrogen compound
Hydrocarbon derivative
Primary amine
Organosulfur compound
Organonitrogen compound
Organooxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.76	ALOGPS
logP	-0.31	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	9.51	ChemAxon
pKa (Strongest Basic)	7.73	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	196.95 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	163.01 m³·mol⁻¹	ChemAxon
Polarizability	64.73 Å³	ChemAxon
Number of Rings	3	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
DeepCCS	[M+H]+	234.977	30932474
DeepCCS	[M-H]-	232.582	30932474
DeepCCS	[M-2H]-	265.81	30932474
DeepCCS	[M+Na]+	240.87	30932474
AllCCS	[M+H]+	240.2	32859911
AllCCS	[M+H-H2O]+	239.3	32859911
AllCCS	[M+NH4]+	240.9	32859911
AllCCS	[M+Na]+	241.1	32859911
AllCCS	[M-H]-	216.1	32859911
AllCCS	[M+Na-2H]-	218.9	32859911
AllCCS	[M+HCOO]-	222.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
[D-Met2, Pro5]-enkephalinamide	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	4954.9	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	3630.0	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	5687.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	5214.8	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	4627.9	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	7700.3	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	5132.6	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	4658.6	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	7987.2	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #11	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	5013.4	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #11	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4649.4	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #11	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7781.4	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	5086.2	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	4645.7	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	7904.1	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #13	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	5083.3	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #13	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	4662.7	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #13	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	7954.3	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C	5193.9	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C	4713.0	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C	7935.1	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #15	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4952.4	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #15	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4623.3	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #15	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	8333.9	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #16	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4956.3	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #16	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4619.1	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #16	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	8376.1	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #17	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C	5004.9	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #17	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4608.8	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #17	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C	8474.0	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	5175.0	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	4621.9	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	7678.5	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #3	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	5025.1	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #3	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4568.7	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #3	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	8080.2	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #4	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	5104.0	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #4	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	4571.5	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #4	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	8167.2	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	5093.1	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	4594.6	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	8218.3	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	5213.2	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	4688.4	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	7406.5	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #7	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	5090.1	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #7	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4631.5	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #7	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	7942.9	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #8	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	5263.5	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #8	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	4745.7	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #8	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	8028.6	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	5143.4	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	4643.9	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	7918.3	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	5136.1	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	4659.2	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	6849.0	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #10	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4954.7	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #10	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4570.8	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #10	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	7757.3	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #11	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4956.5	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #11	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4565.8	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #11	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	7793.3	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4995.3	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4565.0	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C	7884.1	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #13	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	5033.5	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #13	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4681.9	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #13	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	6986.6	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #14	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	5193.6	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #14	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	4771.3	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #14	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C	7068.6	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #15	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	5074.1	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #15	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	4689.6	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #15	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	6970.0	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #16	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	5069.6	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #16	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	4696.7	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #16	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	7026.9	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #17	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C	5160.3	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #17	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C	4745.2	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #17	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C	6993.3	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #18	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4971.8	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #18	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4661.5	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #18	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	7545.7	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #19	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4971.3	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #19	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4660.7	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #19	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)[Si](C)(C)C	7600.0	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #2	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	5041.1	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #2	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	4603.4	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #2	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)[Si](C)(C)C	7355.1	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #20	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5111.0	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #20	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4718.5	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #20	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7644.5	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #21	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	5174.2	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #21	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	4745.8	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #21	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	7619.5	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #22	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	5178.6	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #22	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	4752.5	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #22	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	7688.9	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #23	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4998.8	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #23	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C	4648.1	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #23	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C	7589.5	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #24	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4921.9	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #24	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4671.4	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #24	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7385.5	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #25	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4936.4	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #25	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4666.8	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #25	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7415.7	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #26	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	5027.8	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #26	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4722.1	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #26	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	7397.6	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #27	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4957.6	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #27	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4655.5	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #27	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7540.6	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #28	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5079.3	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #28	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4721.4	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #28	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7511.3	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #29	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5091.7	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #29	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4731.6	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #29	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7549.6	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #3	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	5194.8	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #3	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	4700.2	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #3	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	7429.8	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #30	CSCCC(C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4896.7	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #30	CSCCC(C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	4620.4	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #30	CSCCC(C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C	8009.6	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	5085.4	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	4612.2	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #4	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	7337.4	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	5075.2	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	4626.7	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #5	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C)C=C1)N[Si](C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C	7396.7	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #6	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4990.6	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #6	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	4609.2	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #6	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)[Si](C)(C)C	7189.9	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #7	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	5043.4	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #7	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	4611.7	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #7	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	7301.5	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #8	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	5040.4	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #8	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	4628.3	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #8	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C)[Si](C)(C)C	7342.6	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #9	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C	5121.7	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #9	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C	4678.8	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,3TMS,isomer #9	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C)[Si](C)(C)C	7316.0	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	5661.2	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	4966.9	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #1	CSCCC(NC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	7569.6	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	5556.6	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	4996.2	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #10	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	7765.6	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #11	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	5494.9	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #11	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4966.1	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #11	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	7580.7	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5544.0	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4972.6	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #12	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7686.8	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #13	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5533.0	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #13	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4991.3	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #13	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7707.7	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5584.9	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5010.4	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #14	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7675.9	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #15	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	5465.3	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #15	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4937.8	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #15	CSCCC(C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	8107.4	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #16	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	5470.0	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #16	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	4932.1	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #16	CSCCC(C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CC=C(O)C=C1)[Si](C)(C)C(C)(C)C	8123.1	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #17	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5500.9	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #17	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4930.1	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #17	CSCCC(NC(=O)C(N)CC1=CC=C(O)C=C1)C(=O)N(CC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	8210.8	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C	5630.6	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C	4954.8	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #2	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C	7525.2	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #3	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	5550.2	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #3	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	4889.8	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #3	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)[Si](C)(C)C(C)(C)C	7917.4	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #4	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	5612.2	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #4	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	4897.6	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #4	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	7994.1	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	5606.0	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	4925.4	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #5	CSCCC(NC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NCC(=O)N(C(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	8022.1	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C	5611.9	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C	5025.2	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #6	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(=O)N[Si](C)(C)C(C)(C)C	7242.9	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #7	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5539.0	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #7	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4964.2	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #7	CSCCC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)N(C(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7737.2	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #8	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	5678.6	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #8	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	5026.9	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #8	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O	7799.5	Standard polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	5566.5	Semi standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	4981.5	Standard non polar	33892256
[D-Met2, Pro5]-enkephalinamide,2TBDMS,isomer #9	CSCCC(NC(=O)C(CC1=CC=C(O)C=C1)N[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)NC(CC1=CC=CC=C1)C(=O)N1CCCC1C(N)=O)[Si](C)(C)C(C)(C)C	7726.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - [D-Met2, Pro5]-enkephalinamide GC-MS (TBDMS_1_6) - 70eV, Positive	Not Available	2021-11-03	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 - [D-Met2, Pro5]-enkephalinamide 10V, Positive-QTOF	splash10-03di-0100029000-b5dde6c78676b467bac0	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [D-Met2, Pro5]-enkephalinamide 20V, Positive-QTOF	splash10-02tj-1910141000-9bc09df469f22857d88d	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [D-Met2, Pro5]-enkephalinamide 40V, Positive-QTOF	splash10-074i-6900010000-fd774f46c4cc01b80514	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [D-Met2, Pro5]-enkephalinamide 10V, Negative-QTOF	splash10-03di-0000009000-b2b855aa4227fd71d5a4	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [D-Met2, Pro5]-enkephalinamide 20V, Negative-QTOF	splash10-03dm-9434145000-fd9f0ccd3d73b5912a99	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - [D-Met2, Pro5]-enkephalinamide 40V, Negative-QTOF	splash10-0006-9610000000-735680421e2c21bee4bb	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

15031394

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13174931

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for [D-Met2, Pro5]-enkephalinamide (HMDB0247158)

MOL for HMDB0247158 ([D-Met2, Pro5]-enkephalinamide)

3D MOL for HMDB0247158 ([D-Met2, Pro5]-enkephalinamide)

3D SDF for HMDB0247158 ([D-Met2, Pro5]-enkephalinamide)

3D-SDF for HMDB0247158 ([D-Met2, Pro5]-enkephalinamide)

PDB for HMDB0247158 ([D-Met2, Pro5]-enkephalinamide)

3D PDB for HMDB0247158 ([D-Met2, Pro5]-enkephalinamide)

SMILES for HMDB0247158 ([D-Met2, Pro5]-enkephalinamide)

INCHI for HMDB0247158 ([D-Met2, Pro5]-enkephalinamide)

Structure for HMDB0247158 ([D-Met2, Pro5]-enkephalinamide)

3D Structure for HMDB0247158 ([D-Met2, Pro5]-enkephalinamide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra