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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-08-13 00:47:39 UTC

Update Date

2021-09-14 15:45:34 UTC

HMDB ID

HMDB0003577

Secondary Accession Numbers

HMDB03577

Metabolite Identification

Common Name

VPGPR Enterostatin

Description

Enterostatin VPGPR (Val-Pro-Gly-Pro-Arg) is a pentapeptide released from procolipase during fat digestion. In addition to the pancreas, enterostatin-immunoreactive cells are also present in the antrum and proximal small intestine. Enterostatin selectively reduces fat intake, decreases insulin secretion, and also increases energy expenditure by activating brown adipose tissue during high-fat feeding. Enterostatins are pentapeptides derived from the NH2-terminus of procolipase after tryptic cleavage and belong to the family of gut-brain peptides. Enterostatin is generated by the action of trypsin on procolipase in the intestinal lumen. Its structure is highly conserved in evolution, with an amino acid sequence of XPXPR. Three enterostatin sequences, Val-Pro-Asp-Pro-Arg (VPDPR), Val-Pro-Gly-Pro-Arg (VPGPR), and Ala-Pro-Gly-Pro-Arg (APGPR), have been studied extensively and shown to be almost equally effective in their ability to decrease dietary fat preference. Enterostatins are selective inhibitors of appetite, particularly of fat intake. Hyperenterostatinemia in obesity is probably secondary to enterostatin resistance; therefore, the regulatory system is producing more enterostatin to counteract the resistance. This is very similar to hyperinsulinemia and hyperleptinemia in obesity. The diminution in the meal-induced secretion of enterostatin in obesity suggests a delay in the appearance of satiety, leading to increased caloric intake. In rats enterostatin decreases body weight by decreasing fat-calorie intake and increasing the sympathetic firing rate of the nerves in interscapular brown adipose tissue. Enterostatin levels are elevated in the plasma of obese women, and enterostatin secretion is diminished after satiety. Oral administration of enterostatin, however, has no effect on food intake, energy expenditure, or body weight in subjects with a preference for a high-fat diet experiencing a negative energy and fat balance, and the physiology of enterostatin in humans remains to be defined. (PMID: 10084574 , 9526102 , 8886249 ).

Structure

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


  Mrv0541 02231219462D          

 37 38  0  0  1  0            999 V2000
   14.0091  -16.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0999  -17.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6768  -14.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5859  -13.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7293  -11.6266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4438  -12.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3855  -16.2358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6329  -15.4116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4506  -15.4537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0149  -13.6891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6710  -18.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5859  -10.3891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8714   -9.1516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1570  -10.3891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0529  -15.7508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7980  -14.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3004  -14.9266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9730  -14.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7181  -15.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9678  -15.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7129  -16.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8879  -16.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8376  -16.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3855  -17.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6710  -17.4733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8483  -15.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3004  -14.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2353  -15.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9565  -17.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0149  -12.8641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2420  -17.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9565  -16.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3004  -12.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3004  -11.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7293  -12.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5859  -11.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8714   -9.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 24  2  0  0  0  0
  3 26  2  0  0  0  0
  4 27  2  0  0  0  0
  5 35  1  0  0  0  0
  6 35  2  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 24  1  0  0  0  0
  8 17  1  0  0  0  0
  8 22  1  0  0  0  0
  8 26  1  0  0  0  0
  9 23  1  0  0  0  0
  9 28  1  0  0  0  0
 10 27  1  0  0  0  0
 30 10  1  1  0  0  0
 25 11  1  1  0  0  0
 12 36  1  0  0  0  0
 12 37  2  0  0  0  0
 13 37  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  1  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 27  1  6  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 29  1  0  0  0  0
 26 28  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 35  1  0  0  0  0
 33 34  1  0  0  0  0
 34 36  1  0  0  0  0
M  END

HMDB0003577
     RDKit          3D
VPGPR Enterostatin
 77 78  0  0  0  0  0  0  0  0999 V2000
    5.3756    1.0121   -2.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5788   -0.2248   -1.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3056   -1.3317   -1.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828    0.0124   -1.2906 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3827    0.8105   -2.1728 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177    0.6194    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8719    0.0475    0.9435 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    1.8413    0.3658 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706    2.6256   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3863    3.8797    0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3416    3.4474    1.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5267    2.4767    1.6584 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4362    1.5940    2.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233    1.9422    3.9040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7955    0.2807    2.7965 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693   -0.5181    3.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411   -1.8022    3.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994   -2.4532    5.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743   -2.5451    2.9169 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581   -3.9007    3.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873   -4.6249    2.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0632   -3.6910    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1152   -2.3348    1.5488 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1951   -1.6148    1.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7122   -1.1672    2.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8477   -1.4396    0.2264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479   -0.7335    0.2512 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1377    0.3751   -0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034    1.1743   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2064    2.2547   -1.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9636    1.6118   -3.1129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9697    1.1717   -3.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7135    0.5359   -5.0427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3111    1.3220   -3.3379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1544   -1.7492   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8147   -2.9176   -0.3698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5009   -1.4500   -0.0548 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2683    1.3993   -3.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    1.7864   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4635    0.7223   -1.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3844   -0.6491   -2.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1717   -1.6020   -1.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6136   -2.2097   -1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6483   -1.0262   -0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7214   -0.9931   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059    0.3131   -2.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9376    1.1687   -3.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8405    2.1036   -0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    2.9477   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    4.2905   -0.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    4.6191    0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    4.2549    2.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107    2.8345    1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4365    3.1343    1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740    0.0441    1.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090    0.0434    4.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354   -0.7012    4.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095   -4.3856    3.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9262   -3.8006    3.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910   -5.5323    1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3178   -5.0884    1.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8521   -4.0118    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -3.6882    0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8816   -1.8239    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4935   -1.7669   -0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3181   -0.3118    1.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9435   -0.0717   -1.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    1.1110   -0.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5702    1.6565    0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2523    0.5502   -1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0832    2.9232   -1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2675    2.8061   -1.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5130    0.3617   -5.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7660    0.2253   -5.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9807    0.5161   -3.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6469    2.2062   -2.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0749   -1.8880    0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
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 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
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 24 26  1  0
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 27 28  1  0
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 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 27 35  1  0
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 35 37  1  0
 12  8  1  0
 23 19  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
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  3 42  1  0
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  3 44  1  0
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  5 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 10 51  1  0
 11 52  1  0
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 20 58  1  0
 20 59  1  0
 21 60  1  0
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 22 62  1  0
 22 63  1  0
 23 64  1  6
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 28 67  1  0
 28 68  1  0
 29 69  1  0
 29 70  1  0
 30 71  1  0
 30 72  1  0
 33 73  1  0
 33 74  1  0
 34 75  1  0
 34 76  1  0
 37 77  1  0
M  END


  Mrv0541 02231219462D          

 37 38  0  0  1  0            999 V2000
   14.0091  -16.8128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0999  -17.4733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6768  -14.3496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5859  -13.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7293  -11.6266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4438  -12.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3855  -16.2358    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6329  -15.4116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4506  -15.4537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0149  -13.6891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6710  -18.2983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5859  -10.3891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.8714   -9.1516    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1570  -10.3891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0529  -15.7508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7980  -14.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3004  -14.9266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9730  -14.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7181  -15.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9678  -15.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7129  -16.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8879  -16.1962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8376  -16.0057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3855  -17.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6710  -17.4733    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8483  -15.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3004  -14.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2353  -15.7087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9565  -17.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0149  -12.8641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2420  -17.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9565  -16.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3004  -12.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3004  -11.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7293  -12.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5859  -11.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8714   -9.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
  2 24  2  0  0  0  0
  3 26  2  0  0  0  0
  4 27  2  0  0  0  0
  5 35  1  0  0  0  0
  6 35  2  0  0  0  0
  7 15  1  0  0  0  0
  7 19  1  0  0  0  0
  7 24  1  0  0  0  0
  8 17  1  0  0  0  0
  8 22  1  0  0  0  0
  8 26  1  0  0  0  0
  9 23  1  0  0  0  0
  9 28  1  0  0  0  0
 10 27  1  0  0  0  0
 30 10  1  1  0  0  0
 25 11  1  1  0  0  0
 12 36  1  0  0  0  0
 12 37  2  0  0  0  0
 13 37  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  1  1  0  0  0
 16 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 27  1  6  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 24 25  1  0  0  0  0
 25 29  1  0  0  0  0
 26 28  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  0  0  0  0
 30 35  1  0  0  0  0
 33 34  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003577

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C23H40N8O6/c1-13(2)18(24)21(35)31-11-5-7-15(31)19(33)28-12-17(32)30-10-4-8-16(30)20(34)29-14(22(36)37)6-3-9-27-23(25)26/h13-16,18H,3-12,24H2,1-2H3,(H,28,33)(H,29,34)(H,36,37)(H4,25,26,27)/t14-,15-,16-,18-/m0/s1

> <INCHI_KEY>
QVZKZDOWTVQTPL-OVWQWFNUSA-N

> <FORMULA>
C23H40N8O6

> <MOLECULAR_WEIGHT>
524.6137

> <EXACT_MASS>
524.307081052

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
54.60478521126085

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-{[(2S)-1-(2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}acetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanoic acid

> <ALOGPS_LOGP>
-2.71

> <JCHEM_LOGP>
-4.5001227022771575

> <ALOGPS_LOGS>
-3.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.609385834076523

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.486096228779843

> <JCHEM_PKA_STRONGEST_BASIC>
11.249049708172011

> <JCHEM_POLAR_SURFACE_AREA>
226.54000000000002

> <JCHEM_REFRACTIVITY>
132.69979999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.88e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-{[(2S)-1-(2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}acetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003577
     RDKit          3D
VPGPR Enterostatin
 77 78  0  0  0  0  0  0  0  0999 V2000
    5.3756    1.0121   -2.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5788   -0.2248   -1.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3056   -1.3317   -1.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828    0.0124   -1.2906 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3827    0.8105   -2.1728 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177    0.6194    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8719    0.0475    0.9435 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    1.8413    0.3658 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706    2.6256   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3863    3.8797    0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3416    3.4474    1.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5267    2.4767    1.6584 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4362    1.5940    2.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233    1.9422    3.9040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7955    0.2807    2.7965 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693   -0.5181    3.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411   -1.8022    3.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994   -2.4532    5.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743   -2.5451    2.9169 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581   -3.9007    3.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873   -4.6249    2.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0632   -3.6910    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1152   -2.3348    1.5488 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1951   -1.6148    1.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7122   -1.1672    2.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8477   -1.4396    0.2264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479   -0.7335    0.2512 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1377    0.3751   -0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034    1.1743   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2064    2.2547   -1.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9636    1.6118   -3.1129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9697    1.1717   -3.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7135    0.5359   -5.0427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3111    1.3220   -3.3379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1544   -1.7492   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8147   -2.9176   -0.3698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5009   -1.4500   -0.0548 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2683    1.3993   -3.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    1.7864   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4635    0.7223   -1.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3844   -0.6491   -2.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1717   -1.6020   -1.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6136   -2.2097   -1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6483   -1.0262   -0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7214   -0.9931   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059    0.3131   -2.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9376    1.1687   -3.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8405    2.1036   -0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    2.9477   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    4.2905   -0.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    4.6191    0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    4.2549    2.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107    2.8345    1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4365    3.1343    1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740    0.0441    1.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090    0.0434    4.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354   -0.7012    4.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095   -4.3856    3.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9262   -3.8006    3.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910   -5.5323    1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3178   -5.0884    1.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8521   -4.0118    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -3.6882    0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8816   -1.8239    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4935   -1.7669   -0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3181   -0.3118    1.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9435   -0.0717   -1.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    1.1110   -0.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5702    1.6565    0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2523    0.5502   -1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0832    2.9232   -1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2675    2.8061   -1.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5130    0.3617   -5.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7660    0.2253   -5.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9807    0.5161   -3.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6469    2.2062   -2.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0749   -1.8880    0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 27 35  1  0
 35 36  2  0
 35 37  1  0
 12  8  1  0
 23 19  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  3 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  1
  5 46  1  0
  5 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  1
 15 55  1  0
 16 56  1  0
 16 57  1  0
 20 58  1  0
 20 59  1  0
 21 60  1  0
 21 61  1  0
 22 62  1  0
 22 63  1  0
 23 64  1  6
 26 65  1  0
 27 66  1  1
 28 67  1  0
 28 68  1  0
 29 69  1  0
 29 70  1  0
 30 71  1  0
 30 72  1  0
 33 73  1  0
 33 74  1  0
 34 75  1  0
 34 76  1  0
 37 77  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0      26.150 -31.384   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      24.453 -32.617   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      29.263 -26.786   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      30.960 -25.553   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      34.961 -21.703   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      36.295 -24.013   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      23.120 -30.307   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      31.048 -28.768   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      26.974 -28.847   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      33.628 -25.553   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      21.786 -34.157   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      30.960 -19.393   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      29.627 -17.083   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      28.293 -19.393   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      24.365 -29.401   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      23.890 -27.937   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      32.294 -27.863   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      22.350 -27.937   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      21.874 -29.401   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      33.540 -28.768   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      33.064 -30.233   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      31.524 -30.233   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      25.830 -29.877   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      23.120 -31.847   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      21.786 -32.617   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      29.583 -28.293   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      32.294 -26.323   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      28.439 -29.323   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      20.452 -31.847   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      33.628 -24.013   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      19.118 -32.617   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      20.452 -30.307   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      32.294 -23.243   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      32.294 -21.703   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      34.961 -23.243   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      30.960 -20.933   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      29.627 -18.623   0.000  0.00  0.00           C+0
CONECT    1   23                                                            
CONECT    2   24                                                            
CONECT    3   26                                                            
CONECT    4   27                                                            
CONECT    5   35                                                            
CONECT    6   35                                                            
CONECT    7   15   19   24                                                  
CONECT    8   17   22   26                                                  
CONECT    9   23   28                                                       
CONECT   10   27   30                                                       
CONECT   11   25                                                            
CONECT   12   36   37                                                       
CONECT   13   37                                                            
CONECT   14   37                                                            
CONECT   15    7   16   23                                                  
CONECT   16   15   18                                                       
CONECT   17    8   20   27                                                  
CONECT   18   16   19                                                       
CONECT   19    7   18                                                       
CONECT   20   17   21                                                       
CONECT   21   20   22                                                       
CONECT   22    8   21                                                       
CONECT   23    1    9   15                                                  
CONECT   24    2    7   25                                                  
CONECT   25   11   24   29                                                  
CONECT   26    3    8   28                                                  
CONECT   27    4   10   17                                                  
CONECT   28    9   26                                                       
CONECT   29   25   31   32                                                  
CONECT   30   10   33   35                                                  
CONECT   31   29                                                            
CONECT   32   29                                                            
CONECT   33   30   34                                                       
CONECT   34   33   36                                                       
CONECT   35    5    6   30                                                  
CONECT   36   12   34                                                       
CONECT   37   12   13   14                                                  
MASTER        0    0    0    0    0    0    0    0   37    0   76    0
END

COMPND    HMDB0003577
HETATM    1  C1  UNL     1       5.376   1.012  -2.057  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.579  -0.225  -1.843  1.00  0.00           C  
HETATM    3  C3  UNL     1       5.306  -1.332  -1.124  1.00  0.00           C  
HETATM    4  C4  UNL     1       3.183   0.012  -1.291  1.00  0.00           C  
HETATM    5  N1  UNL     1       2.383   0.810  -2.173  1.00  0.00           N  
HETATM    6  C5  UNL     1       3.218   0.619   0.041  1.00  0.00           C  
HETATM    7  O1  UNL     1       3.872   0.048   0.943  1.00  0.00           O  
HETATM    8  N2  UNL     1       2.537   1.841   0.366  1.00  0.00           N  
HETATM    9  C6  UNL     1       1.771   2.626  -0.555  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.386   3.880   0.172  1.00  0.00           C  
HETATM   11  C8  UNL     1       1.342   3.447   1.611  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.527   2.477   1.658  1.00  0.00           C  
HETATM   13  C10 UNL     1       2.436   1.594   2.814  1.00  0.00           C  
HETATM   14  O2  UNL     1       2.923   1.942   3.904  1.00  0.00           O  
HETATM   15  N3  UNL     1       1.796   0.281   2.797  1.00  0.00           N  
HETATM   16  C11 UNL     1       1.769  -0.518   3.951  1.00  0.00           C  
HETATM   17  C12 UNL     1       1.141  -1.802   3.900  1.00  0.00           C  
HETATM   18  O3  UNL     1       1.199  -2.453   5.065  1.00  0.00           O  
HETATM   19  N4  UNL     1       0.474  -2.545   2.917  1.00  0.00           N  
HETATM   20  C13 UNL     1      -0.058  -3.901   3.281  1.00  0.00           C  
HETATM   21  C14 UNL     1      -0.287  -4.625   2.013  1.00  0.00           C  
HETATM   22  C15 UNL     1      -0.063  -3.691   0.877  1.00  0.00           C  
HETATM   23  C16 UNL     1       0.115  -2.335   1.549  1.00  0.00           C  
HETATM   24  C17 UNL     1      -1.195  -1.615   1.456  1.00  0.00           C  
HETATM   25  O4  UNL     1      -1.712  -1.167   2.511  1.00  0.00           O  
HETATM   26  N5  UNL     1      -1.848  -1.440   0.226  1.00  0.00           N  
HETATM   27  C18 UNL     1      -3.148  -0.733   0.251  1.00  0.00           C  
HETATM   28  C19 UNL     1      -3.138   0.375  -0.752  1.00  0.00           C  
HETATM   29  C20 UNL     1      -4.403   1.174  -0.805  1.00  0.00           C  
HETATM   30  C21 UNL     1      -4.206   2.255  -1.862  1.00  0.00           C  
HETATM   31  N6  UNL     1      -3.964   1.612  -3.113  1.00  0.00           N  
HETATM   32  C22 UNL     1      -4.970   1.172  -3.805  1.00  0.00           C  
HETATM   33  N7  UNL     1      -4.713   0.536  -5.043  1.00  0.00           N  
HETATM   34  N8  UNL     1      -6.311   1.322  -3.338  1.00  0.00           N  
HETATM   35  C23 UNL     1      -4.154  -1.749  -0.072  1.00  0.00           C  
HETATM   36  O5  UNL     1      -3.815  -2.918  -0.370  1.00  0.00           O  
HETATM   37  O6  UNL     1      -5.501  -1.450  -0.055  1.00  0.00           O  
HETATM   38  H1  UNL     1       5.268   1.399  -3.074  1.00  0.00           H  
HETATM   39  H2  UNL     1       5.229   1.786  -1.276  1.00  0.00           H  
HETATM   40  H3  UNL     1       6.463   0.722  -1.939  1.00  0.00           H  
HETATM   41  H4  UNL     1       4.384  -0.649  -2.878  1.00  0.00           H  
HETATM   42  H5  UNL     1       6.172  -1.602  -1.801  1.00  0.00           H  
HETATM   43  H6  UNL     1       4.614  -2.210  -1.096  1.00  0.00           H  
HETATM   44  H7  UNL     1       5.648  -1.026  -0.142  1.00  0.00           H  
HETATM   45  H8  UNL     1       2.721  -0.993  -1.195  1.00  0.00           H  
HETATM   46  H9  UNL     1       1.506   0.313  -2.469  1.00  0.00           H  
HETATM   47  H10 UNL     1       2.938   1.169  -3.007  1.00  0.00           H  
HETATM   48  H11 UNL     1       0.841   2.104  -0.902  1.00  0.00           H  
HETATM   49  H12 UNL     1       2.388   2.948  -1.441  1.00  0.00           H  
HETATM   50  H13 UNL     1       0.417   4.290  -0.181  1.00  0.00           H  
HETATM   51  H14 UNL     1       2.214   4.619   0.087  1.00  0.00           H  
HETATM   52  H15 UNL     1       1.443   4.255   2.341  1.00  0.00           H  
HETATM   53  H16 UNL     1       0.411   2.834   1.741  1.00  0.00           H  
HETATM   54  H17 UNL     1       3.437   3.134   1.727  1.00  0.00           H  
HETATM   55  H18 UNL     1       1.374   0.044   1.901  1.00  0.00           H  
HETATM   56  H19 UNL     1       1.309   0.043   4.837  1.00  0.00           H  
HETATM   57  H20 UNL     1       2.835  -0.701   4.362  1.00  0.00           H  
HETATM   58  H21 UNL     1       0.810  -4.386   3.814  1.00  0.00           H  
HETATM   59  H22 UNL     1      -0.926  -3.801   3.946  1.00  0.00           H  
HETATM   60  H23 UNL     1       0.391  -5.532   1.945  1.00  0.00           H  
HETATM   61  H24 UNL     1      -1.318  -5.088   1.986  1.00  0.00           H  
HETATM   62  H25 UNL     1       0.852  -4.012   0.329  1.00  0.00           H  
HETATM   63  H26 UNL     1      -0.926  -3.688   0.172  1.00  0.00           H  
HETATM   64  H27 UNL     1       0.882  -1.824   0.955  1.00  0.00           H  
HETATM   65  H28 UNL     1      -1.494  -1.767  -0.693  1.00  0.00           H  
HETATM   66  H29 UNL     1      -3.318  -0.312   1.284  1.00  0.00           H  
HETATM   67  H30 UNL     1      -2.944  -0.072  -1.754  1.00  0.00           H  
HETATM   68  H31 UNL     1      -2.310   1.111  -0.546  1.00  0.00           H  
HETATM   69  H32 UNL     1      -4.570   1.657   0.187  1.00  0.00           H  
HETATM   70  H33 UNL     1      -5.252   0.550  -1.116  1.00  0.00           H  
HETATM   71  H34 UNL     1      -5.083   2.923  -1.835  1.00  0.00           H  
HETATM   72  H35 UNL     1      -3.268   2.806  -1.571  1.00  0.00           H  
HETATM   73  H36 UNL     1      -5.513   0.362  -5.711  1.00  0.00           H  
HETATM   74  H37 UNL     1      -3.766   0.225  -5.358  1.00  0.00           H  
HETATM   75  H38 UNL     1      -6.981   0.516  -3.417  1.00  0.00           H  
HETATM   76  H39 UNL     1      -6.647   2.206  -2.919  1.00  0.00           H  
HETATM   77  H40 UNL     1      -6.075  -1.888   0.662  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3    4   41
CONECT    3   42   43   44
CONECT    4    5    6   45
CONECT    5   46   47
CONECT    6    7    7    8
CONECT    8    9   12
CONECT    9   10   48   49
CONECT   10   11   50   51
CONECT   11   12   52   53
CONECT   12   13   54
CONECT   13   14   14   15
CONECT   15   16   55
CONECT   16   17   56   57
CONECT   17   18   18   19
CONECT   19   20   23
CONECT   20   21   58   59
CONECT   21   22   60   61
CONECT   22   23   62   63
CONECT   23   24   64
CONECT   24   25   25   26
CONECT   26   27   65
CONECT   27   28   35   66
CONECT   28   29   67   68
CONECT   29   30   69   70
CONECT   30   31   71   72
CONECT   31   32   32
CONECT   32   33   34
CONECT   33   73   74
CONECT   34   75   76
CONECT   35   36   36   37
CONECT   37   77
END

HMDB0003577
     RDKit          3D
VPGPR Enterostatin
 77 78  0  0  0  0  0  0  0  0999 V2000
    5.3756    1.0121   -2.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5788   -0.2248   -1.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3056   -1.3317   -1.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1828    0.0124   -1.2906 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.3827    0.8105   -2.1728 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177    0.6194    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8719    0.0475    0.9435 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5370    1.8413    0.3658 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7706    2.6256   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3863    3.8797    0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3416    3.4474    1.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5267    2.4767    1.6584 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4362    1.5940    2.8136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233    1.9422    3.9040 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7955    0.2807    2.7965 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7693   -0.5181    3.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1411   -1.8022    3.9004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1994   -2.4532    5.0654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4743   -2.5451    2.9169 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0581   -3.9007    3.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2873   -4.6249    2.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0632   -3.6910    0.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1152   -2.3348    1.5488 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1951   -1.6148    1.4562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7122   -1.1672    2.5107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8477   -1.4396    0.2264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479   -0.7335    0.2512 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1377    0.3751   -0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4034    1.1743   -0.8045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2064    2.2547   -1.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9636    1.6118   -3.1129 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9697    1.1717   -3.8047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7135    0.5359   -5.0427 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3111    1.3220   -3.3379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1544   -1.7492   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8147   -2.9176   -0.3698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5009   -1.4500   -0.0548 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2683    1.3993   -3.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2286    1.7864   -1.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4635    0.7223   -1.9395 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3844   -0.6491   -2.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1717   -1.6020   -1.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6136   -2.2097   -1.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6483   -1.0262   -0.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7214   -0.9931   -1.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5059    0.3131   -2.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9376    1.1687   -3.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8405    2.1036   -0.9021 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    2.9477   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4172    4.2905   -0.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2136    4.6191    0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    4.2549    2.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4107    2.8345    1.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4365    3.1343    1.7266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3740    0.0441    1.9010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090    0.0434    4.8368 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8354   -0.7012    4.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095   -4.3856    3.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9262   -3.8006    3.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3910   -5.5323    1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3178   -5.0884    1.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8521   -4.0118    0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9260   -3.6882    0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8816   -1.8239    0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4935   -1.7669   -0.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3181   -0.3118    1.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9435   -0.0717   -1.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3105    1.1110   -0.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5702    1.6565    0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2523    0.5502   -1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0832    2.9232   -1.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2675    2.8061   -1.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5130    0.3617   -5.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7660    0.2253   -5.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9807    0.5161   -3.4172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6469    2.2062   -2.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0749   -1.8880    0.6621 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 27 35  1  0
 35 36  2  0
 35 37  1  0
 12  8  1  0
 23 19  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  0
  3 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  1
  5 46  1  0
  5 47  1  0
  9 48  1  0
  9 49  1  0
 10 50  1  0
 10 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  1
 15 55  1  0
 16 56  1  0
 16 57  1  0
 20 58  1  0
 20 59  1  0
 21 60  1  0
 21 61  1  0
 22 62  1  0
 22 63  1  0
 23 64  1  6
 26 65  1  0
 27 66  1  1
 28 67  1  0
 28 68  1  0
 29 69  1  0
 29 70  1  0
 30 71  1  0
 30 72  1  0
 33 73  1  0
 33 74  1  0
 34 75  1  0
 34 76  1  0
 37 77  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-[1-[N-(1-L-Valyl-L-prolyl)glycyl]-L-prolyl]-L-arginine	HMDB
L-Valyl-L-prolylglycyl-L-prolyl-L-arginine	HMDB
(2S)-2-({[(2S)-1-[2-({[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)acetyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-5-carbamimidamidopentanoate	Generator, HMDB

Chemical Formula

C₂₃H₄₀N₈O₆

Average Molecular Weight

524.6137

Monoisotopic Molecular Weight

524.307081052

IUPAC Name

(2S)-2-{[(2S)-1-(2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}acetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanoic acid

Traditional Name

(2S)-2-{[(2S)-1-(2-{[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]formamido}acetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanoic acid

CAS Registry Number

144964-56-7

SMILES

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O

InChI Identifier

InChI=1S/C23H40N8O6/c1-13(2)18(24)21(35)31-11-5-7-15(31)19(33)28-12-17(32)30-10-4-8-16(30)20(34)29-14(22(36)37)6-3-9-27-23(25)26/h13-16,18H,3-12,24H2,1-2H3,(H,28,33)(H,29,34)(H,36,37)(H4,25,26,27)/t14-,15-,16-,18-/m0/s1

InChI Key

QVZKZDOWTVQTPL-OVWQWFNUSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Valine or derivatives
Proline or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
N-acylpyrrolidine
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Branched fatty acid
Heterocyclic fatty acid
Fatty acyl
Fatty acid
Pyrrolidine
Tertiary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Guanidine
Amino acid
Secondary carboxylic acid amide
Carboximidamide
Organoheterocyclic compound
Propargyl-type 1,3-dipolar organic compound
Azacycle
Organic 1,3-dipolar compound
Carboxylic acid
Monocarboxylic acid or derivatives
Primary amine
Primary aliphatic amine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Carbonyl group
Hydrocarbon derivative
Amine
Organonitrogen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0003577)

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

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.39 g/L	ALOGPS
logP	-2.7	ALOGPS
logP	-4.5	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	3.49	ChemAxon
pKa (Strongest Basic)	11.25	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	226.54 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	132.7 m³·mol⁻¹	ChemAxon
Polarizability	54.6 Å³	ChemAxon
Number of Rings	2	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
DarkChem	[M+H]+	220.329	31661259
DarkChem	[M-H]-	211.343	31661259
DeepCCS	[M+H]+	223.229	30932474
DeepCCS	[M-H]-	220.88	30932474
DeepCCS	[M-2H]-	254.121	30932474
DeepCCS	[M+Na]+	229.142	30932474
AllCCS	[M+H]+	220.0	32859911
AllCCS	[M+H-H2O]+	218.8	32859911
AllCCS	[M+NH4]+	221.1	32859911
AllCCS	[M+Na]+	221.4	32859911
AllCCS	[M-H]-	218.2	32859911
AllCCS	[M+Na-2H]-	219.2	32859911
AllCCS	[M+HCOO]-	220.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
VPGPR Enterostatin	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O	3917.1	Standard polar	33892256
VPGPR Enterostatin	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O	4076.7	Standard non polar	33892256
VPGPR Enterostatin	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O	4732.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
VPGPR Enterostatin,1TMS,isomer #1	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C	4336.7	Semi standard non polar	33892256
VPGPR Enterostatin,1TMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	4443.2	Semi standard non polar	33892256
VPGPR Enterostatin,1TMS,isomer #3	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O	4555.4	Semi standard non polar	33892256
VPGPR Enterostatin,1TMS,isomer #4	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C	4360.4	Semi standard non polar	33892256
VPGPR Enterostatin,1TMS,isomer #5	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C	4319.8	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C	4322.9	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C	3986.0	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C	8406.3	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #10	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4458.5	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #10	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4156.9	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #10	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	8551.4	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #11	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4402.0	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #11	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4147.6	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #11	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	8505.4	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4480.2	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4279.3	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	8554.3	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4209.6	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4083.4	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	8599.3	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #2	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4422.5	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #2	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4112.9	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #2	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	8558.2	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #3	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4224.9	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #3	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4065.0	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #3	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	8628.9	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #4	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4204.6	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #4	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4070.8	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #4	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	8627.2	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O	4535.9	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O	4088.4	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O	8357.1	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4432.7	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4124.3	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	8526.3	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C	4346.2	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C	4032.4	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C	8379.1	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C	4290.7	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C	4016.4	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C	8367.1	Standard polar	33892256
VPGPR Enterostatin,2TMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	4596.3	Semi standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	4138.6	Standard non polar	33892256
VPGPR Enterostatin,2TMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	8411.9	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4419.8	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3991.6	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	7966.5	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	4592.7	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	3974.3	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	7761.7	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #11	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4500.6	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #11	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4136.5	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #11	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	8035.5	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #12	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4437.5	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #12	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4031.2	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #12	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7893.0	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #13	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4383.8	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #13	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4006.5	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #13	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7878.8	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4441.9	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4109.7	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7910.3	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #15	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4336.4	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #15	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4117.1	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #15	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	8128.5	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #16	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4288.0	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #16	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4113.9	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #16	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	8120.2	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4205.9	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3984.5	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	8002.8	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #18	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4495.0	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #18	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4048.2	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #18	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7949.1	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #19	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4445.9	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #19	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4035.4	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #19	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7888.6	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #2	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4301.3	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #2	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4082.3	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #2	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	8179.2	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #20	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4490.9	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #20	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4235.4	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #20	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7821.9	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #21	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4311.2	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #21	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4094.7	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #21	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	8184.6	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #22	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4362.6	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #22	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4226.2	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #22	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	8226.8	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #23	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4320.7	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #23	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4210.5	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #23	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	8184.5	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4239.2	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3971.6	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	8064.5	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4223.3	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3968.8	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C	8084.0	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #5	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4479.2	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #5	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4002.2	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #5	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	7985.5	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #6	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4325.7	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #6	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4074.1	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #6	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	8254.7	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #7	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4309.7	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #7	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4079.1	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #7	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	8243.3	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #8	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4341.5	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #8	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4166.7	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #8	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	8243.3	Standard polar	33892256
VPGPR Enterostatin,3TMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4128.0	Semi standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4050.0	Standard non polar	33892256
VPGPR Enterostatin,3TMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	8375.9	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4483.3	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3923.1	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	7230.6	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #10	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4366.6	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #10	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3964.7	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #10	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7538.7	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #11	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4379.0	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #11	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4118.7	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #11	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7446.1	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4236.5	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4029.8	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7966.5	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4292.9	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4122.0	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7975.9	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #14	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4267.0	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #14	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4126.9	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #14	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7961.0	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #15	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4539.1	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #15	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4012.0	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #15	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7252.9	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #16	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4501.7	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #16	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3930.8	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #16	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7141.7	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4451.2	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3910.0	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7116.2	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #18	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4479.0	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #18	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4074.9	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #18	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7013.9	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #19	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4441.9	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #19	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4106.1	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #19	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7597.1	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #2	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4411.2	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #2	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4075.8	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #2	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7678.9	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #20	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4384.5	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #20	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4088.9	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #20	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7589.4	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #21	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4441.5	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #21	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4183.4	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #21	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	7628.3	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #22	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4311.8	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #22	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3967.3	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #22	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	7460.7	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4364.0	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4076.3	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7506.6	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #24	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4320.7	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #24	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4053.8	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #24	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7490.3	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #25	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4236.4	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #25	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4087.1	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #25	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7766.5	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #26	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4380.7	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #26	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3970.0	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #26	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	7466.5	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #27	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4399.5	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #27	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4164.1	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #27	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7416.7	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #28	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4354.7	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #28	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4153.5	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #28	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	7353.3	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #29	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4398.2	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #29	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4325.4	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #29	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	7329.7	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4337.8	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3971.6	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7558.2	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #30	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4274.3	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #30	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4149.7	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #30	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	7903.8	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4315.3	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3959.9	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7571.8	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4341.8	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4036.2	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	7569.2	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4266.6	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4077.9	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7839.7	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #7	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4234.0	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #7	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4081.0	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #7	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7857.6	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4163.3	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3954.9	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7753.7	Standard polar	33892256
VPGPR Enterostatin,4TMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4387.4	Semi standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3962.4	Standard non polar	33892256
VPGPR Enterostatin,4TMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7570.2	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #1	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4479.2	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #1	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4002.1	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #1	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6781.4	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4275.0	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4024.9	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7230.9	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #11	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4230.3	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #11	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4068.7	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #11	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7557.3	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4323.7	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3925.6	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7176.3	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4339.1	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4084.2	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7086.1	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #14	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4313.4	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #14	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4087.0	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #14	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7050.0	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #15	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4355.3	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #15	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4230.6	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #15	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6959.7	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #16	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4242.3	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #16	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4087.0	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #16	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7710.0	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #17	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4501.8	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #17	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3998.0	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #17	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6692.3	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #18	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4452.1	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #18	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3983.4	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #18	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6680.3	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #19	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4483.9	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #19	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4148.5	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #19	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	6583.3	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4408.6	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3914.2	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6651.9	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #20	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4406.4	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #20	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	3883.9	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #20	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6542.9	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #21	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4431.0	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #21	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4053.2	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #21	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6456.8	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #22	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4385.0	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #22	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4033.7	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #22	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6432.7	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4429.0	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4183.0	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #23	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	6342.4	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #24	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4356.9	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #24	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4063.4	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #24	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7201.3	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #25	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4452.6	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #25	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4163.8	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #25	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7251.5	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #26	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4398.2	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #26	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4148.0	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #26	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7240.1	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4292.3	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4032.2	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #27	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	7134.8	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #28	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4321.6	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #28	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	4097.5	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #28	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)[Si](C)(C)C	6982.6	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #29	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4364.1	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #29	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4276.5	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #29	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6930.1	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4370.6	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3905.6	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	6655.4	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #30	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4326.3	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #30	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4265.2	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #30	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	6863.0	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4400.4	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4035.7	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	6525.4	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #5	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4393.2	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #5	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4066.5	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #5	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7299.4	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4350.2	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4060.9	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7315.1	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #7	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4417.3	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #7	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4133.7	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #7	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	7321.5	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4257.3	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3946.7	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	7207.0	Standard polar	33892256
VPGPR Enterostatin,5TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4302.1	Semi standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4033.1	Standard non polar	33892256
VPGPR Enterostatin,5TMS,isomer #9	CC(C)[C@H](N[Si](C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	7222.4	Standard polar	33892256
VPGPR Enterostatin,1TBDMS,isomer #1	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C	4548.5	Semi standard non polar	33892256
VPGPR Enterostatin,1TBDMS,isomer #2	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	4632.3	Semi standard non polar	33892256
VPGPR Enterostatin,1TBDMS,isomer #3	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O	4753.8	Semi standard non polar	33892256
VPGPR Enterostatin,1TBDMS,isomer #4	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4583.9	Semi standard non polar	33892256
VPGPR Enterostatin,1TBDMS,isomer #5	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4549.0	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C	4726.7	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C	4348.6	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C	8158.0	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #10	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4863.2	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #10	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4475.1	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #10	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	8268.6	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #11	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4798.0	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #11	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4453.5	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #11	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	8219.1	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4892.8	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4582.4	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #12	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	8259.4	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4650.5	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4428.1	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #13	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	8404.7	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #2	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4817.6	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #2	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4443.8	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #2	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	8283.8	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #3	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4675.7	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #3	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4433.9	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #3	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	8441.2	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #4	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4635.6	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #4	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4426.2	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #4	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	8422.0	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O	4911.1	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O	4382.8	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #5	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O	8006.4	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4869.3	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4451.4	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #6	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	8234.5	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4742.2	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4382.2	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #7	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C	8122.0	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4688.5	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C	4356.1	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #8	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C	8099.7	Standard polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	4993.6	Semi standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	4443.1	Standard non polar	33892256
VPGPR Enterostatin,2TBDMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	7916.2	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4973.7	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4450.8	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #1	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	7610.0	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	5136.9	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	4413.1	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #10	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O	7138.4	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #11	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5136.0	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #11	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4551.8	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #11	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7633.5	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #12	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4991.5	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #12	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4479.1	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #12	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7558.1	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #13	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4918.0	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #13	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4445.6	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #13	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7534.0	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5010.9	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4550.4	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #14	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	7547.1	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #15	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4988.2	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #15	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4578.3	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #15	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7819.3	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #16	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4928.3	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #16	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4560.6	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #16	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7801.6	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4788.3	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4465.6	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #17	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7722.7	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #18	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	5081.0	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #18	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4491.4	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #18	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7457.4	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #19	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	5009.9	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #19	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4469.5	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #19	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7392.4	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #2	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4964.7	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #2	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4555.0	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #2	CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7869.4	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #20	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	5080.2	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #20	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4656.7	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #20	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	7346.9	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #21	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4895.0	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #21	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4533.6	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #21	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7899.7	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #22	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4971.7	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #22	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4663.1	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #22	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7924.1	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #23	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4912.1	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #23	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4639.8	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #23	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	7877.6	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4846.3	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4477.8	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #3	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7793.7	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4779.2	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4467.5	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #4	CC(C)[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7791.4	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #5	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5050.4	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #5	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4466.8	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #5	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	7472.5	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #6	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4931.3	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #6	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4532.8	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #6	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7970.0	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #7	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4866.7	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #7	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4529.4	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #7	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	7941.2	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #8	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4950.5	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #8	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4618.8	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #8	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	7940.1	Standard polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4760.8	Semi standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4546.7	Standard non polar	33892256
VPGPR Enterostatin,3TBDMS,isomer #9	CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N(CC(=O)N1CCC[C@H]1C(=O)N([C@@H](CCCN=C(N)N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	8157.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - VPGPR Enterostatin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0fi0-9331300000-d2a1d2e5ebbba667634a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - VPGPR Enterostatin GC-MS (1 TMS) - 70eV, Positive	splash10-00di-9321020000-48a69e256a3399d3c208	2017-10-06	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 10V, Positive-QTOF	splash10-004i-6864490000-90c6f290f6c618dbd5e8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 20V, Positive-QTOF	splash10-00fr-9531000000-e07d244d22eecaeb5ac3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 40V, Positive-QTOF	splash10-00di-9310000000-a6c8363faab096a3f22c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 10V, Negative-QTOF	splash10-001i-1000920000-8fcb3a8178d7cf59bea6	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 20V, Negative-QTOF	splash10-053r-8434910000-b6478147066844a932f4	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 40V, Negative-QTOF	splash10-0abc-9310000000-c9f3617f8f1896db08eb	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 10V, Negative-QTOF	splash10-00di-1000490000-fbd0aec065f15bfea07d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 20V, Negative-QTOF	splash10-05fr-1101930000-078c1f95830b442c54b2	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 40V, Negative-QTOF	splash10-0006-9421100000-d3f11d79314fc69b26cb	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 10V, Positive-QTOF	splash10-004i-0001190000-15f8ae07ad55b89cc515	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 20V, Positive-QTOF	splash10-05di-4332490000-ef2cb92d58eb9a213b53	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - VPGPR Enterostatin 40V, Positive-QTOF	splash10-00di-6490000000-ea74bb27e91e11b6dcbf	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023200

KNApSAcK ID

Not Available

Chemspider ID

8090424

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9914775

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

Prasad C, Imamura M, Debata C, Svec F, Sumar N, Hermon-Taylor J: Hyperenterostatinemia in premenopausal obese women. J Clin Endocrinol Metab. 1999 Mar;84(3):937-41. [PubMed:10084574 ]
Ashmarin IP, Karazeeva EP, Lyapina LA, Samonina GE: The simplest proline-containing peptides PG, GP, PGP, and GPGG: regulatory activity and possible sources of biosynthesis. Biochemistry (Mosc). 1998 Feb;63(2):119-24. [PubMed:9526102 ]
Rytter E, Erlanson-Albertsson C, Lindahl L, Lundquist I, Viberg U, Akesson B, Oste R: Changes in plasma insulin, enterostatin, and lipoprotein levels during an energy-restricted dietary regimen including a new oat-based liquid food. Ann Nutr Metab. 1996;40(4):212-20. [PubMed:8886249 ]

Showing metabocard for VPGPR Enterostatin (HMDB0003577)

MOL for HMDB0003577 (VPGPR Enterostatin)

3D MOL for HMDB0003577 (VPGPR Enterostatin)

3D SDF for HMDB0003577 (VPGPR Enterostatin)

3D-SDF for HMDB0003577 (VPGPR Enterostatin)

PDB for HMDB0003577 (VPGPR Enterostatin)

3D PDB for HMDB0003577 (VPGPR Enterostatin)

SMILES for HMDB0003577 (VPGPR Enterostatin)

INCHI for HMDB0003577 (VPGPR Enterostatin)

Structure for HMDB0003577 (VPGPR Enterostatin)

3D Structure for HMDB0003577 (VPGPR Enterostatin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra