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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 22:57:10 UTC

Update Date

2021-09-26 23:17:48 UTC

HMDB ID

HMDB0259949

Secondary Accession Numbers

None

Metabolite Identification

Common Name

L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-

Description

L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Based on a literature review very few articles have been published on L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-. This compound has been identified in human blood as reported by (PMID: 31557052 ). L-alaninamide, n-acetyl-l-tyrosyl-l-valyl-n-((1s)-2-carboxy-1-formylethyl)- is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- 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

  Mrv1652309122100572D          

 35 35  0  0  0  0            999 V2000
   10.9041    5.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1342    4.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4926    5.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0059    4.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2359    3.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1076    3.0558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5943    4.3893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8244    4.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6961    3.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
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 33 35  1  0  0  0  0
M  END

HMDB0259949
     RDKit          3D
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-
 67 67  0  0  0  0  0  0  0  0999 V2000
   -4.6579    4.3746    2.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

  Mrv1652309122100572D          

 35 35  0  0  0  0            999 V2000
   10.9041    5.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0259949

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(=O)C(C)NC(CC(O)=O)C=O

> <INCHI_IDENTIFIER>
InChI=1S/C23H32N4O8/c1-12(2)20(23(35)27-21(33)13(3)24-16(11-28)10-19(31)32)26-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,24,30H,9-10H2,1-4H3,(H,25,29)(H,26,34)(H,31,32)(H,27,33,35)

> <INCHI_KEY>
KQCBPHUOVBKBPQ-UHFFFAOYSA-N

> <FORMULA>
C23H32N4O8

> <MOLECULAR_WEIGHT>
492.529

> <EXACT_MASS>
492.222014006

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
67

> <JCHEM_AVERAGE_POLARIZABILITY>
49.20696318277507

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(1-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}-1-oxopropan-2-yl)amino]-4-oxobutanoic acid

> <ALOGPS_LOGP>
0.02

> <JCHEM_LOGP>
-2.994722044412398

> <ALOGPS_LOGS>
-3.63

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.49960472930344

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.027361017324678

> <JCHEM_PKA_STRONGEST_BASIC>
7.152045946156239

> <JCHEM_POLAR_SURFACE_AREA>
191.0

> <JCHEM_REFRACTIVITY>
122.53879999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.15e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-[(1-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}-1-oxopropan-2-yl)amino]-4-oxobutanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0259949
     RDKit          3D
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-
 67 67  0  0  0  0  0  0  0  0999 V2000
   -4.6579    4.3746    2.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8468    3.1417    1.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2826    2.6708    2.9012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7317    2.5541    0.5958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628    1.3585    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8635    0.2324   -0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8842   -0.1382    0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1081    0.4857    0.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1067    0.1614    1.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8679   -0.8047    2.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8660   -1.1444    3.5548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6426   -1.4404    2.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6402   -1.1095    1.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9251    1.5566   -0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7888    2.6810   -1.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112    0.5036   -1.0940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    0.5550   -2.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    0.2161   -1.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1801   -0.1991   -0.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135    0.3443   -2.0382 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7569   -0.0057   -1.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578    0.2529   -2.2187 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650   -0.5988   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2498   -2.0358   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175   -0.7756    0.4620 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9593    0.2550    0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6725    0.9466   -0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2785    0.4074   -1.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9313   -0.2972    1.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8377    0.7748    2.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7401    0.5317    3.1542 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7083    2.0466    1.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3161   -0.3950   -3.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3923   -1.8380   -2.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6536   -0.2700   -4.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4433    4.8601    3.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4542    5.1000    1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7280    4.0458    2.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2266    3.0009   -0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5293    1.0484    1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3887    0.6591   -1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2535   -0.5951   -0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3437    1.2562    0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0544    0.6740    1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7094   -1.8581    4.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4808   -2.2024    3.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7001   -1.6412    1.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2269   -0.4374   -0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0209    1.5717   -2.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5882    0.7438   -3.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2045    0.0197    0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094   -2.1510   -1.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0898   -2.7839   -0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6729   -2.2369    0.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4177   -1.7423    0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3324    1.0104    1.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7007    2.0450   -0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4905   -1.1675    1.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3053   -0.6461    2.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5235    2.5459    1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265   -0.0896   -3.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277   -2.2167   -2.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2585   -2.4754   -3.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0502   -1.9962   -1.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106    0.7484   -4.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1273   -0.7320   -5.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456   -0.9514   -4.1953 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  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
  5 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 26 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 17 33  1  0
 33 34  1  0
 33 35  1  0
 13  7  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
  8 43  1  0
  9 44  1  0
 11 45  1  0
 12 46  1  0
 13 47  1  0
 16 48  1  0
 17 49  1  0
 20 50  1  0
 23 51  1  0
 24 52  1  0
 24 53  1  0
 24 54  1  0
 25 55  1  0
 26 56  1  0
 27 57  1  0
 29 58  1  0
 29 59  1  0
 32 60  1  0
 33 61  1  0
 34 62  1  0
 34 63  1  0
 34 64  1  0
 35 65  1  0
 35 66  1  0
 35 67  1  0
M  END

HEADER    PROTEIN                                 12-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-21         0                                  
HETATM    1  C   UNK     0      20.354   9.853   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.917   9.300   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      17.720  10.268   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      18.678   7.779   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.240   7.225   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      17.001   5.704   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      16.043   8.193   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      14.606   7.640   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      14.366   6.119   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      13.408   8.608   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.647  10.130   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      11.971   8.055   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      10.773   9.023   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.336   8.470   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.138   9.438   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       6.701   8.885   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       8.378  10.959   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      11.013  10.544   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       9.815  11.513   0.000  0.00  0.00           O+0
HETATM   20  N   UNK     0      19.875   6.810   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      21.313   7.364   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      21.552   8.885   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      22.510   6.396   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      22.271   4.874   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      20.833   4.321   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      20.594   2.800   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      19.157   2.247   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      17.959   3.215   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      18.199   4.736   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      19.636   5.289   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      16.522   2.662   0.000  0.00  0.00           O+0
HETATM   32  N   UNK     0      23.947   6.949   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0      24.187   8.470   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      25.624   9.023   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      22.989   9.438   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   20                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   18                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   13   19                                                       
CONECT   19   18                                                            
CONECT   20    4   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   32                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   30                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29   25                                                       
CONECT   31   28                                                            
CONECT   32   23   33                                                       
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   70    0
END

COMPND    HMDB0259949
HETATM    1  C1  UNL     1      -4.658   4.375   2.086  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.847   3.142   1.876  1.00  0.00           C  
HETATM    3  O1  UNL     1      -3.283   2.671   2.901  1.00  0.00           O  
HETATM    4  N1  UNL     1      -3.732   2.554   0.596  1.00  0.00           N  
HETATM    5  C3  UNL     1      -2.963   1.358   0.323  1.00  0.00           C  
HETATM    6  C4  UNL     1      -3.863   0.232  -0.167  1.00  0.00           C  
HETATM    7  C5  UNL     1      -4.884  -0.138   0.803  1.00  0.00           C  
HETATM    8  C6  UNL     1      -6.108   0.486   0.793  1.00  0.00           C  
HETATM    9  C7  UNL     1      -7.107   0.161   1.700  1.00  0.00           C  
HETATM   10  C8  UNL     1      -6.868  -0.805   2.630  1.00  0.00           C  
HETATM   11  O2  UNL     1      -7.866  -1.144   3.555  1.00  0.00           O  
HETATM   12  C9  UNL     1      -5.643  -1.440   2.652  1.00  0.00           C  
HETATM   13  C10 UNL     1      -4.640  -1.110   1.735  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.925   1.557  -0.708  1.00  0.00           C  
HETATM   15  O3  UNL     1      -1.789   2.681  -1.226  1.00  0.00           O  
HETATM   16  N2  UNL     1      -1.111   0.504  -1.094  1.00  0.00           N  
HETATM   17  C12 UNL     1      -0.047   0.555  -2.098  1.00  0.00           C  
HETATM   18  C13 UNL     1       1.265   0.216  -1.423  1.00  0.00           C  
HETATM   19  O4  UNL     1       1.180  -0.199  -0.242  1.00  0.00           O  
HETATM   20  N3  UNL     1       2.514   0.344  -2.038  1.00  0.00           N  
HETATM   21  C14 UNL     1       3.757  -0.006  -1.465  1.00  0.00           C  
HETATM   22  O5  UNL     1       4.758   0.253  -2.219  1.00  0.00           O  
HETATM   23  C15 UNL     1       3.865  -0.599  -0.152  1.00  0.00           C  
HETATM   24  C16 UNL     1       3.250  -2.036  -0.242  1.00  0.00           C  
HETATM   25  N4  UNL     1       5.118  -0.776   0.462  1.00  0.00           N  
HETATM   26  C17 UNL     1       5.959   0.255   0.838  1.00  0.00           C  
HETATM   27  C18 UNL     1       6.673   0.947  -0.223  1.00  0.00           C  
HETATM   28  O6  UNL     1       7.278   0.407  -1.152  1.00  0.00           O  
HETATM   29  C19 UNL     1       6.931  -0.297   1.897  1.00  0.00           C  
HETATM   30  C20 UNL     1       7.838   0.775   2.325  1.00  0.00           C  
HETATM   31  O7  UNL     1       8.740   0.532   3.154  1.00  0.00           O  
HETATM   32  O8  UNL     1       7.708   2.047   1.825  1.00  0.00           O  
HETATM   33  C21 UNL     1      -0.316  -0.395  -3.198  1.00  0.00           C  
HETATM   34  C22 UNL     1      -0.392  -1.838  -2.759  1.00  0.00           C  
HETATM   35  C23 UNL     1       0.654  -0.270  -4.322  1.00  0.00           C  
HETATM   36  H1  UNL     1      -4.443   4.860   3.054  1.00  0.00           H  
HETATM   37  H2  UNL     1      -4.454   5.100   1.261  1.00  0.00           H  
HETATM   38  H3  UNL     1      -5.728   4.046   2.093  1.00  0.00           H  
HETATM   39  H4  UNL     1      -4.227   3.001  -0.208  1.00  0.00           H  
HETATM   40  H5  UNL     1      -2.529   1.048   1.302  1.00  0.00           H  
HETATM   41  H6  UNL     1      -4.389   0.659  -1.072  1.00  0.00           H  
HETATM   42  H7  UNL     1      -3.254  -0.595  -0.543  1.00  0.00           H  
HETATM   43  H8  UNL     1      -6.344   1.256   0.075  1.00  0.00           H  
HETATM   44  H9  UNL     1      -8.054   0.674   1.662  1.00  0.00           H  
HETATM   45  H10 UNL     1      -7.709  -1.858   4.255  1.00  0.00           H  
HETATM   46  H11 UNL     1      -5.481  -2.202   3.401  1.00  0.00           H  
HETATM   47  H12 UNL     1      -3.700  -1.641   1.800  1.00  0.00           H  
HETATM   48  H13 UNL     1      -1.227  -0.437  -0.657  1.00  0.00           H  
HETATM   49  H14 UNL     1       0.021   1.572  -2.463  1.00  0.00           H  
HETATM   50  H15 UNL     1       2.588   0.744  -3.032  1.00  0.00           H  
HETATM   51  H16 UNL     1       3.204   0.020   0.536  1.00  0.00           H  
HETATM   52  H17 UNL     1       2.709  -2.151  -1.186  1.00  0.00           H  
HETATM   53  H18 UNL     1       4.090  -2.784  -0.254  1.00  0.00           H  
HETATM   54  H19 UNL     1       2.673  -2.237   0.652  1.00  0.00           H  
HETATM   55  H20 UNL     1       5.418  -1.742   0.658  1.00  0.00           H  
HETATM   56  H21 UNL     1       5.332   1.010   1.448  1.00  0.00           H  
HETATM   57  H22 UNL     1       6.701   2.045  -0.240  1.00  0.00           H  
HETATM   58  H23 UNL     1       7.491  -1.167   1.518  1.00  0.00           H  
HETATM   59  H24 UNL     1       6.305  -0.646   2.768  1.00  0.00           H  
HETATM   60  H25 UNL     1       8.523   2.546   1.511  1.00  0.00           H  
HETATM   61  H26 UNL     1      -1.326  -0.090  -3.652  1.00  0.00           H  
HETATM   62  H27 UNL     1      -1.428  -2.217  -2.920  1.00  0.00           H  
HETATM   63  H28 UNL     1       0.259  -2.475  -3.410  1.00  0.00           H  
HETATM   64  H29 UNL     1      -0.050  -1.996  -1.729  1.00  0.00           H  
HETATM   65  H30 UNL     1       0.911   0.748  -4.625  1.00  0.00           H  
HETATM   66  H31 UNL     1       0.127  -0.732  -5.233  1.00  0.00           H  
HETATM   67  H32 UNL     1       1.546  -0.951  -4.195  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3    3    4
CONECT    4    5   39
CONECT    5    6   14   40
CONECT    6    7   41   42
CONECT    7    8    8   13
CONECT    8    9   43
CONECT    9   10   10   44
CONECT   10   11   12
CONECT   11   45
CONECT   12   13   13   46
CONECT   13   47
CONECT   14   15   15   16
CONECT   16   17   48
CONECT   17   18   33   49
CONECT   18   19   19   20
CONECT   20   21   50
CONECT   21   22   22   23
CONECT   23   24   25   51
CONECT   24   52   53   54
CONECT   25   26   55
CONECT   26   27   29   56
CONECT   27   28   28   57
CONECT   29   30   58   59
CONECT   30   31   31   32
CONECT   32   60
CONECT   33   34   35   61
CONECT   34   62   63   64
CONECT   35   65   66   67
END

HMDB0259949
     RDKit          3D
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-
 67 67  0  0  0  0  0  0  0  0999 V2000
   -4.6579    4.3746    2.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8468    3.1417    1.8758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2826    2.6708    2.9012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7317    2.5541    0.5958 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628    1.3585    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8635    0.2324   -0.1673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8842   -0.1382    0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1081    0.4857    0.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1067    0.1614    1.7005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8679   -0.8047    2.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8660   -1.1444    3.5548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6426   -1.4404    2.6523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6402   -1.1095    1.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9251    1.5566   -0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7888    2.6810   -1.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112    0.5036   -1.0940 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470    0.5550   -2.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2649    0.2161   -1.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1801   -0.1991   -0.2416 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135    0.3443   -2.0382 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7569   -0.0057   -1.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7578    0.2529   -2.2187 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8650   -0.5988   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2498   -2.0358   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175   -0.7756    0.4620 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9593    0.2550    0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6725    0.9466   -0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2785    0.4074   -1.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9313   -0.2972    1.8975 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8377    0.7748    2.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7401    0.5317    3.1542 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7083    2.0466    1.8252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3161   -0.3950   -3.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3923   -1.8380   -2.7595 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6536   -0.2700   -4.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4433    4.8601    3.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4542    5.1000    1.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7280    4.0458    2.0928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2266    3.0009   -0.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5293    1.0484    1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3887    0.6591   -1.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2535   -0.5951   -0.5425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3437    1.2562    0.0750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0544    0.6740    1.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7094   -1.8581    4.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4808   -2.2024    3.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7001   -1.6412    1.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2269   -0.4374   -0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0209    1.5717   -2.4628 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5882    0.7438   -3.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2045    0.0197    0.5357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094   -2.1510   -1.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0898   -2.7839   -0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6729   -2.2369    0.6525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4177   -1.7423    0.6575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3324    1.0104    1.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7007    2.0450   -0.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4905   -1.1675    1.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3053   -0.6461    2.7678 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5235    2.5459    1.5109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3265   -0.0896   -3.6519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4277   -2.2167   -2.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2585   -2.4754   -3.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0502   -1.9962   -1.7288 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9106    0.7484   -4.6248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1273   -0.7320   -5.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5456   -0.9514   -4.1953 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  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
  5 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 26 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 17 33  1  0
 33 34  1  0
 33 35  1  0
 13  7  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  4 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
  8 43  1  0
  9 44  1  0
 11 45  1  0
 12 46  1  0
 13 47  1  0
 16 48  1  0
 17 49  1  0
 20 50  1  0
 23 51  1  0
 24 52  1  0
 24 53  1  0
 24 54  1  0
 25 55  1  0
 26 56  1  0
 27 57  1  0
 29 58  1  0
 29 59  1  0
 32 60  1  0
 33 61  1  0
 34 62  1  0
 34 63  1  0
 34 64  1  0
 35 65  1  0
 35 66  1  0
 35 67  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-[(1-{[2-({1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-(4-hydroxyphenyl)propylidene}amino)-3-methylbutanoyl]-C-hydroxycarbonimidoyl}ethyl)amino]-4-oxobutanoate	HMDB

Chemical Formula

C₂₃H₃₂N₄O₈

Average Molecular Weight

492.529

Monoisotopic Molecular Weight

492.222014006

IUPAC Name

3-[(1-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}-1-oxopropan-2-yl)amino]-4-oxobutanoic acid

Traditional Name

3-[(1-{2-[2-acetamido-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido}-1-oxopropan-2-yl)amino]-4-oxobutanoic acid

CAS Registry Number

Not Available

SMILES

CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(=O)C(C)NC(CC(O)=O)C=O

InChI Identifier

InChI=1S/C23H32N4O8/c1-12(2)20(23(35)27-21(33)13(3)24-16(11-28)10-19(31)32)26-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,24,30H,9-10H2,1-4H3,(H,25,29)(H,26,34)(H,31,32)(H,27,33,35)

InChI Key

KQCBPHUOVBKBPQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Peptides

Alternative Parents

Substituents

Alpha peptide
N-acyl-alpha amino acid or derivatives
Valine or derivatives
Alpha-amino acid or derivatives
Amphetamine or derivatives
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
N-acylimine
Amino acid
Amino acid or derivatives
Secondary aliphatic amine
Secondary amine
Carboxylic acid
Carboximidic acid
Carboximidic acid derivative
Monocarboxylic acid or derivatives
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Aldehyde
Organonitrogen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Amine
Organic nitrogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	0.02	ALOGPS
logP	-3	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	3.03	ChemAxon
pKa (Strongest Basic)	7.15	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	191 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	122.54 m³·mol⁻¹	ChemAxon
Polarizability	49.21 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	217.118	32859911
AllCCS	[M+H-H2O]+	215.584	32859911
AllCCS	[M+Na]+	218.904	32859911
AllCCS	[M+NH4]+	218.51	32859911
AllCCS	[M-H]-	210.128	32859911
AllCCS	[M+Na-2H]-	211.894	32859911
AllCCS	[M+HCOO]-	213.975	32859911
DeepCCS	[M+H]+	207.274	30932474
DeepCCS	[M-H]-	204.879	30932474
DeepCCS	[M-2H]-	237.761	30932474
DeepCCS	[M+Na]+	213.187	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-	CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(=O)C(C)NC(CC(O)=O)C=O	4924.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-	CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(=O)C(C)NC(CC(O)=O)C=O	2624.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-	CC(C)C(NC(=O)C(CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(=O)C(C)NC(CC(O)=O)C=O	3929.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C	3900.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C	3530.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C	5405.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #10	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3707.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #10	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3608.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #10	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5058.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3711.0	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3626.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5004.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3821.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3634.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5157.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3678.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3632.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4963.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3808.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3619.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5114.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #15	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3783.1	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #15	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3635.6	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #15	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5076.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3795.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3575.6	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5612.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #17	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3792.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #17	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3581.6	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #17	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5578.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #18	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3765.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #18	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3503.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #18	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5529.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #19	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3842.1	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #19	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3478.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #19	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5555.7	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #2	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3715.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #2	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3567.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #2	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5070.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #20	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3627.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #20	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3605.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #20	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5163.2	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3609.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3605.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5098.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #22	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3746.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #22	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3642.9	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #22	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5276.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3597.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3610.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5054.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3739.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3632.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5230.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #25	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3702.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #25	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3624.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #25	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5181.2	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #26	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3775.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #26	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3634.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #26	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5540.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #27	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3786.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #27	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3582.6	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #27	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5495.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #28	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3883.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #28	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3570.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #28	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5527.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #29	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3757.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #29	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3588.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #29	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5460.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3709.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3553.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5023.2	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #30	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3864.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #30	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3585.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #30	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5486.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #31	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3835.1	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #31	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3552.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #31	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5444.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3625.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3696.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5095.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3734.0	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3688.9	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5254.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3703.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3721.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5161.2	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3725.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3709.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5204.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3687.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3538.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	4968.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3809.1	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3578.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5145.2	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #6	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C	3902.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #6	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C	3583.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #6	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C	5373.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #7	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C	3870.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #7	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C	3579.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #7	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C	5338.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C	3873.4	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C	3519.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C	5298.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C	3959.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C	3494.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C	5342.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #1	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3838.4	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #1	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3554.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #1	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5090.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3724.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3619.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	4708.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3838.4	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3610.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5051.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3819.0	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3560.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5010.7	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #13	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3948.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #13	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3530.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #13	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5045.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3800.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3562.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4971.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #15	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3927.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #15	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3541.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #15	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5000.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #16	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3873.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #16	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3513.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #16	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C	4963.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3678.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3687.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4650.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #18	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3796.0	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #18	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3681.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #18	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4797.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #19	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3784.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #19	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3697.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #19	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4755.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3832.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	3560.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #2	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C	5047.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3757.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3707.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #20	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4701.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3747.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3607.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5179.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #22	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3701.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #22	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3548.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #22	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5131.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #23	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3827.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #23	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3518.9	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #23	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5153.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3697.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3554.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5090.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #25	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3820.1	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #25	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3536.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #25	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5108.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #26	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3772.1	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #26	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3498.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #26	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	5063.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #27	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3586.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #27	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3672.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #27	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4695.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #28	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3740.1	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #28	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3692.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #28	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4867.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #29	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3701.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #29	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3693.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #29	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4815.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3804.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3490.6	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5005.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #30	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3678.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #30	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3705.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #30	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4760.7	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3725.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3618.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #31	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5097.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3847.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3613.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	5121.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3823.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3595.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5078.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3795.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3620.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	5033.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3716.4	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3778.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4832.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3889.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	3448.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C	5039.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #5	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3674.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #5	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3612.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #5	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4686.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #6	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3636.1	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #6	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3603.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #6	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4634.7	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3776.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3639.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4803.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3631.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3608.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4579.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3777.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3630.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,4TMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4744.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #1	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3794.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #1	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3611.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #1	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4786.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3712.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3697.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #10	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4388.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3784.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3619.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4726.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3919.1	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3597.9	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4746.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #13	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3877.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #13	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3577.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #13	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4708.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3840.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3598.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4657.7	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3784.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3778.6	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #15	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4458.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3691.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3606.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #16	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4808.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3813.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3589.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #17	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4817.7	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #18	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3772.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #18	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3563.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #18	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4770.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #19	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3748.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #19	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3584.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #19	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4716.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #2	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3754.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #2	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3554.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #2	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4746.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #20	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3696.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #20	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3766.6	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #20	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4472.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3801.4	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3664.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4770.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #3	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3864.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #3	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3512.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #3	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4764.2	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3747.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3557.9	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4695.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3867.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3527.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4712.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3816.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	3488.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #6	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C	4676.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3632.1	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3676.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #7	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4331.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #8	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3781.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #8	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	3706.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #8	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C	4485.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #9	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3736.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #9	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	3692.8	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,5TMS,isomer #9	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(C)C)[Si](C)(C)C	4443.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C	4619.2	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C	3941.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #1	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C	5360.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #10	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4433.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #10	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4047.9	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #10	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5027.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4391.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4073.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #11	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4973.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4573.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4064.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #12	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5110.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4393.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4068.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #13	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4933.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4575.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4042.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #14	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5062.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #15	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4491.4	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #15	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4069.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #15	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5040.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #16	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4436.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #16	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	3983.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #16	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5439.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #17	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4462.4	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #17	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	3978.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #17	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5400.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #18	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4410.0	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #18	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	3941.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #18	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5359.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #19	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4498.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #19	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	3878.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #19	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5379.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #2	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4437.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #2	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4027.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #2	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5026.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #20	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4322.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #20	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4052.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #20	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5070.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4283.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4069.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #21	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5012.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #22	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4476.0	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #22	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4081.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #22	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5155.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4273.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4067.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #23	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4974.7	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4471.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4064.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #24	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5110.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #25	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4383.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #25	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4076.5	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #25	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5088.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #26	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4459.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #26	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4025.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #26	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5408.1	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #27	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4422.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #27	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4006.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #27	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5354.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #28	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4536.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #28	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	3950.9	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #28	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5381.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #29	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4421.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #29	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	3999.6	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #29	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5325.4	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4464.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4003.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #3	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4974.7	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #30	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4534.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #30	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	3948.6	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #30	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5341.9	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #31	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4462.9	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #31	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	3936.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #31	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5316.2	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4319.5	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4123.9	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #32	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5040.6	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4471.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4100.2	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #33	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5162.2	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4419.3	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4133.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #34	CC(=O)NC(CC1=CC=C(O)C=C1)C(=O)N(C(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5089.2	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4421.0	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	4127.0	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #35	CC(=O)N(C(CC1=CC=C(O)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)N(C(C=O)CC(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C)[Si](C)(C)C(C)(C)C	5123.3	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4390.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4010.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #4	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4937.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4575.4	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	4028.1	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #5	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(C=O)CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C)C	5085.8	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #6	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C	4586.8	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #6	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C	3989.7	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #6	CC(=O)N(C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C	5345.5	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #7	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C	4605.0	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #7	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C	3970.4	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #7	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)N(C(C(=O)NC(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)C(C)C)[Si](C)(C)C(C)(C)C	5306.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C	4555.7	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C	3952.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #8	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)N(C(=O)C(C)NC(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C	5274.0	Standard polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C	4661.6	Semi standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C	3888.3	Standard non polar	33892256
L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-,3TBDMS,isomer #9	CC(=O)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)NC(C(=O)NC(=O)C(C)N(C(=CO[Si](C)(C)C(C)(C)C)CC(=O)O)[Si](C)(C)C(C)(C)C)C(C)C	5304.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (Non-derivatized) - 70eV, Positive	splash10-002f-3912300000-6ef4ddb1cf4f0f859f24	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-27	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

11344838

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

22326215

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 L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)- (HMDB0259949)

MOL for HMDB0259949 (L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-)

3D MOL for HMDB0259949 (L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-)

3D SDF for HMDB0259949 (L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-)

3D-SDF for HMDB0259949 (L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-)

PDB for HMDB0259949 (L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-)

3D PDB for HMDB0259949 (L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-)

SMILES for HMDB0259949 (L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-)

INCHI for HMDB0259949 (L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-)

Structure for HMDB0259949 (L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-)

3D Structure for HMDB0259949 (L-Alaninamide, N-acetyl-L-tyrosyl-L-valyl-N-((1S)-2-carboxy-1-formylethyl)-)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra