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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2007-05-11 14:10:26 UTC

Update Date

2021-09-14 15:36:51 UTC

HMDB ID

HMDB0006117

Secondary Accession Numbers

HMDB06117

Metabolite Identification

Common Name

APGPR Enterostatin

Description

Enterostatin APGPR (Ala-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 02231220332D          

 35 36  0  0  1  0            999 V2000
   16.5412  -10.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2091   -8.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1182   -7.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6322  -11.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2616   -5.6704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9760   -6.9079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1652   -9.4554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9177  -10.2796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9829   -9.4975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5471   -7.7329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2032  -12.3421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1182   -4.4329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4037   -3.1954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6892   -4.4329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8326   -8.9704    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   18.3806   -9.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4888  -11.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8326   -5.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2616   -6.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
 32 34  1  0  0  0  0
M  END

HMDB0006117
     RDKit          3D
APGPR Enterostatin
 71 72  0  0  0  0  0  0  0  0999 V2000
   -2.8536    2.3327    2.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872    2.2138    1.4678 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8984    3.5569    0.9049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4300    1.6872    1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2336    2.5505    0.6415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8550    0.3857    1.2988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2031   -0.1149    0.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3887   -1.3901    1.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0730   -1.6131    2.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0820   -0.7448    1.8056 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3442   -1.4093    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0809   -0.7155   -0.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9182   -2.7493    0.7721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1784   -3.3737   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8398   -2.7434   -0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -1.7949    0.2855 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -3.1430   -1.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155   -4.1430   -2.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080   -3.4004   -3.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2561   -2.3158   -3.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100   -2.7715   -1.7796 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0078   -1.8110   -0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9177   -2.3033   -0.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837   -0.4560   -0.7492 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    0.3846    0.2259 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4719    1.2530   -0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2594    2.1342    0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528    2.9867   -0.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1771    2.1512   -1.1536 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0344    2.6914   -1.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9720    1.8758   -2.6795 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0489    4.0997   -2.0897 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840    1.2110    0.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501    1.2243    0.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9095    1.9918    2.0792 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.6577    4.1572    1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2672   -0.3651   -0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.7981   -2.6834    2.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9226   -4.0759   -4.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -2.9628   -4.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964   -2.2732   -3.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7258   -1.3480   -3.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745   -3.7620   -1.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0848    0.0408   -1.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299   -0.3139    0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1341    0.5889   -1.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8885    1.8417   -1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285    2.8469    0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968    1.5106    1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7076    3.6289   -1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8207    3.6648    0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510    1.2202   -2.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9889    2.0112   -3.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9163    4.5947   -1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.6603   -2.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2464    2.0936    2.8532 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
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 32 70  1  0
 35 71  1  0
M  END

  Mrv0541 02231220332D          

 35 36  0  0  1  0            999 V2000
   16.5412  -10.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2091   -8.3934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1182   -7.7329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6322  -11.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2616   -5.6704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9760   -6.9079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1652   -9.4554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9177  -10.2796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9829   -9.4975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5471   -7.7329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.4037   -3.1954    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6892   -4.4329    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.8326   -8.9704    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   16.3697  -10.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3806   -9.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4888  -11.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.2616   -6.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1182   -5.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4037   -4.0204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  2  0  0  0  0
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 14 35  1  0  0  0  0
 15 17  1  0  0  0  0
 15 25  1  6  0  0  0
 16 18  1  0  0  0  0
 16 23  1  1  0  0  0
 17 19  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 32  1  0  0  0  0
 32 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006117

> <DATABASE_NAME>
hmdb

> <SMILES>
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/C21H36N8O6/c1-12(22)19(33)29-10-4-6-14(29)17(31)26-11-16(30)28-9-3-7-15(28)18(32)27-13(20(34)35)5-2-8-25-21(23)24/h12-15H,2-11,22H2,1H3,(H,26,31)(H,27,32)(H,34,35)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1

> <INCHI_KEY>
ITZMJCSORYKOSI-AJNGGQMLSA-N

> <FORMULA>
C21H36N8O6

> <MOLECULAR_WEIGHT>
496.5605

> <EXACT_MASS>
496.275780924

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
50.747712283220366

> <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-aminopropanoyl]pyrrolidin-2-yl]formamido}acetyl)pyrrolidin-2-yl]formamido}-5-[(diaminomethylidene)amino]pentanoic acid

> <ALOGPS_LOGP>
-3.04

> <JCHEM_LOGP>
-5.386063037822296

> <ALOGPS_LOGS>
-2.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.549114588450362

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.4860934489447097

> <JCHEM_PKA_STRONGEST_BASIC>
11.245883521739705

> <JCHEM_POLAR_SURFACE_AREA>
226.54000000000002

> <JCHEM_REFRACTIVITY>
123.70419999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.32e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
enterostatin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006117
     RDKit          3D
APGPR Enterostatin
 71 72  0  0  0  0  0  0  0  0999 V2000
   -2.8536    2.3327    2.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872    2.2138    1.4678 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8984    3.5569    0.9049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4300    1.6872    1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2336    2.5505    0.6415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8550    0.3857    1.2988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2031   -0.1149    0.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3887   -1.3901    1.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0730   -1.6131    2.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0820   -0.7448    1.8056 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3442   -1.4093    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0809   -0.7155   -0.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9182   -2.7493    0.7721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1784   -3.3737   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8398   -2.7434   -0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -1.7949    0.2855 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -3.1430   -1.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155   -4.1430   -2.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080   -3.4004   -3.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2561   -2.3158   -3.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100   -2.7715   -1.7796 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0078   -1.8110   -0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9177   -2.3033   -0.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837   -0.4560   -0.7492 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    0.3846    0.2259 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4719    1.2530   -0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2594    2.1342    0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528    2.9867   -0.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1771    2.1512   -1.1536 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0344    2.6914   -1.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9720    1.8758   -2.6795 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0489    4.0997   -2.0897 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840    1.2110    0.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501    1.2243    0.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9095    1.9918    2.0792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8326    2.0515    3.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440    1.7452    3.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569    3.4121    3.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.5718    1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719    3.4751   -0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6577    4.1572    1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2672   -0.3651   -0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9733    0.6288    1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5809   -2.2579    1.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2497   -1.3114    2.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7981   -2.6834    2.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2450   -1.2131    3.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342   -0.4176    2.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1358   -3.3233    1.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1084   -4.4583   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7469   -3.2846   -1.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612   -4.4314   -2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656   -5.0001   -2.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9226   -4.0759   -4.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -2.9628   -4.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964   -2.2732   -3.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7258   -1.3480   -3.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745   -3.7620   -1.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0848    0.0408   -1.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299   -0.3139    0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1341    0.5889   -1.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8885    1.8417   -1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285    2.8469    0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968    1.5106    1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7076    3.6289   -1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8207    3.6648    0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510    1.2202   -2.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9889    2.0112   -3.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9163    4.5947   -1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.6603   -2.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2464    2.0936    2.8532 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  3
 30 31  1  0
 30 32  1  0
 25 33  1  0
 33 34  2  0
 33 35  1  0
 10  6  1  0
 21 17  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  6
  3 40  1  0
  3 41  1  0
  7 42  1  0
  7 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  1
 13 49  1  0
 14 50  1  0
 14 51  1  0
 18 52  1  0
 18 53  1  0
 19 54  1  0
 19 55  1  0
 20 56  1  0
 20 57  1  0
 21 58  1  6
 24 59  1  0
 25 60  1  1
 26 61  1  0
 26 62  1  0
 27 63  1  0
 27 64  1  0
 28 65  1  0
 28 66  1  0
 31 67  1  0
 31 68  1  0
 32 69  1  0
 32 70  1  0
 35 71  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      30.877 -20.266   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      33.990 -15.668   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      35.687 -14.435   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      29.180 -21.499   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      39.688 -10.585   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      41.022 -12.895   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      35.775 -17.650   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      27.846 -19.189   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      31.701 -17.729   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      38.355 -14.435   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      26.513 -23.039   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      35.687  -8.275   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      34.354  -5.965   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      33.020  -8.275   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      37.021 -16.745   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      29.092 -18.283   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      38.267 -17.650   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      28.616 -16.819   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      37.791 -19.115   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      36.251 -19.115   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      27.076 -16.819   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      26.600 -18.283   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      30.557 -18.759   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      34.310 -17.174   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      37.021 -15.205   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      33.166 -18.205   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      27.846 -20.729   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      26.513 -21.499   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      38.355 -12.895   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      37.021 -12.125   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      25.179 -20.729   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      37.021 -10.585   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      39.688 -12.125   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      35.687  -9.815   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      34.354  -7.505   0.000  0.00  0.00           C+0
CONECT    1   23                                                            
CONECT    2   24                                                            
CONECT    3   25                                                            
CONECT    4   27                                                            
CONECT    5   33                                                            
CONECT    6   33                                                            
CONECT    7   15   20   24                                                  
CONECT    8   16   22   27                                                  
CONECT    9   23   26                                                       
CONECT   10   25   29                                                       
CONECT   11   28                                                            
CONECT   12   34   35                                                       
CONECT   13   35                                                            
CONECT   14   35                                                            
CONECT   15    7   17   25                                                  
CONECT   16    8   18   23                                                  
CONECT   17   15   19                                                       
CONECT   18   16   21                                                       
CONECT   19   17   20                                                       
CONECT   20    7   19                                                       
CONECT   21   18   22                                                       
CONECT   22    8   21                                                       
CONECT   23    1    9   16                                                  
CONECT   24    2    7   26                                                  
CONECT   25    3   10   15                                                  
CONECT   26    9   24                                                       
CONECT   27    4    8   28                                                  
CONECT   28   11   27   31                                                  
CONECT   29   10   30   33                                                  
CONECT   30   29   32                                                       
CONECT   31   28                                                            
CONECT   32   30   34                                                       
CONECT   33    5    6   29                                                  
CONECT   34   12   32                                                       
CONECT   35   12   13   14                                                  
MASTER        0    0    0    0    0    0    0    0   35    0   72    0
END

COMPND    HMDB0006117
HETATM    1  C1  UNL     1      -2.854   2.333   2.956  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.087   2.214   1.468  1.00  0.00           C  
HETATM    3  N1  UNL     1      -2.898   3.557   0.905  1.00  0.00           N  
HETATM    4  C3  UNL     1      -4.430   1.687   1.130  1.00  0.00           C  
HETATM    5  O1  UNL     1      -5.234   2.551   0.642  1.00  0.00           O  
HETATM    6  N2  UNL     1      -4.855   0.386   1.299  1.00  0.00           N  
HETATM    7  C4  UNL     1      -6.203  -0.115   0.964  1.00  0.00           C  
HETATM    8  C5  UNL     1      -6.389  -1.390   1.750  1.00  0.00           C  
HETATM    9  C6  UNL     1      -5.073  -1.613   2.501  1.00  0.00           C  
HETATM   10  C7  UNL     1      -4.082  -0.745   1.806  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.344  -1.409   0.730  1.00  0.00           C  
HETATM   12  O2  UNL     1      -3.081  -0.716  -0.307  1.00  0.00           O  
HETATM   13  N3  UNL     1      -2.918  -2.749   0.772  1.00  0.00           N  
HETATM   14  C9  UNL     1      -2.178  -3.374  -0.307  1.00  0.00           C  
HETATM   15  C10 UNL     1      -0.840  -2.743  -0.514  1.00  0.00           C  
HETATM   16  O3  UNL     1      -0.540  -1.795   0.286  1.00  0.00           O  
HETATM   17  N4  UNL     1       0.052  -3.143  -1.504  1.00  0.00           N  
HETATM   18  C11 UNL     1      -0.215  -4.143  -2.532  1.00  0.00           C  
HETATM   19  C12 UNL     1       0.308  -3.400  -3.753  1.00  0.00           C  
HETATM   20  C13 UNL     1       1.256  -2.316  -3.227  1.00  0.00           C  
HETATM   21  C14 UNL     1       1.410  -2.771  -1.780  1.00  0.00           C  
HETATM   22  C15 UNL     1       2.008  -1.811  -0.890  1.00  0.00           C  
HETATM   23  O4  UNL     1       2.918  -2.303  -0.084  1.00  0.00           O  
HETATM   24  N5  UNL     1       1.784  -0.456  -0.749  1.00  0.00           N  
HETATM   25  C16 UNL     1       2.503   0.385   0.226  1.00  0.00           C  
HETATM   26  C17 UNL     1       3.472   1.253  -0.541  1.00  0.00           C  
HETATM   27  C18 UNL     1       4.259   2.134   0.370  1.00  0.00           C  
HETATM   28  C19 UNL     1       5.253   2.987  -0.433  1.00  0.00           C  
HETATM   29  N6  UNL     1       6.177   2.151  -1.154  1.00  0.00           N  
HETATM   30  C20 UNL     1       7.034   2.691  -1.944  1.00  0.00           C  
HETATM   31  N7  UNL     1       7.972   1.876  -2.680  1.00  0.00           N  
HETATM   32  N8  UNL     1       7.049   4.100  -2.090  1.00  0.00           N  
HETATM   33  C21 UNL     1       1.584   1.211   0.994  1.00  0.00           C  
HETATM   34  O5  UNL     1       0.350   1.224   0.647  1.00  0.00           O  
HETATM   35  O6  UNL     1       1.910   1.992   2.079  1.00  0.00           O  
HETATM   36  H1  UNL     1      -1.833   2.052   3.267  1.00  0.00           H  
HETATM   37  H2  UNL     1      -3.644   1.745   3.483  1.00  0.00           H  
HETATM   38  H3  UNL     1      -2.957   3.412   3.223  1.00  0.00           H  
HETATM   39  H4  UNL     1      -2.321   1.572   1.035  1.00  0.00           H  
HETATM   40  H5  UNL     1      -2.872   3.475  -0.116  1.00  0.00           H  
HETATM   41  H6  UNL     1      -3.658   4.157   1.282  1.00  0.00           H  
HETATM   42  H7  UNL     1      -6.267  -0.365  -0.134  1.00  0.00           H  
HETATM   43  H8  UNL     1      -6.973   0.629   1.197  1.00  0.00           H  
HETATM   44  H9  UNL     1      -6.581  -2.258   1.062  1.00  0.00           H  
HETATM   45  H10 UNL     1      -7.250  -1.311   2.411  1.00  0.00           H  
HETATM   46  H11 UNL     1      -4.798  -2.683   2.546  1.00  0.00           H  
HETATM   47  H12 UNL     1      -5.245  -1.213   3.540  1.00  0.00           H  
HETATM   48  H13 UNL     1      -3.334  -0.418   2.573  1.00  0.00           H  
HETATM   49  H14 UNL     1      -3.136  -3.323   1.609  1.00  0.00           H  
HETATM   50  H15 UNL     1      -2.108  -4.458  -0.104  1.00  0.00           H  
HETATM   51  H16 UNL     1      -2.747  -3.285  -1.274  1.00  0.00           H  
HETATM   52  H17 UNL     1      -1.261  -4.431  -2.615  1.00  0.00           H  
HETATM   53  H18 UNL     1       0.466  -5.000  -2.337  1.00  0.00           H  
HETATM   54  H19 UNL     1       0.923  -4.076  -4.372  1.00  0.00           H  
HETATM   55  H20 UNL     1      -0.534  -2.963  -4.314  1.00  0.00           H  
HETATM   56  H21 UNL     1       2.196  -2.273  -3.774  1.00  0.00           H  
HETATM   57  H22 UNL     1       0.726  -1.348  -3.196  1.00  0.00           H  
HETATM   58  H23 UNL     1       1.975  -3.762  -1.799  1.00  0.00           H  
HETATM   59  H24 UNL     1       1.085   0.041  -1.337  1.00  0.00           H  
HETATM   60  H25 UNL     1       3.130  -0.314   0.814  1.00  0.00           H  
HETATM   61  H26 UNL     1       4.134   0.589  -1.159  1.00  0.00           H  
HETATM   62  H27 UNL     1       2.889   1.842  -1.295  1.00  0.00           H  
HETATM   63  H28 UNL     1       3.628   2.847   0.951  1.00  0.00           H  
HETATM   64  H29 UNL     1       4.797   1.511   1.105  1.00  0.00           H  
HETATM   65  H30 UNL     1       4.708   3.629  -1.164  1.00  0.00           H  
HETATM   66  H31 UNL     1       5.821   3.665   0.226  1.00  0.00           H  
HETATM   67  H32 UNL     1       8.551   1.220  -2.136  1.00  0.00           H  
HETATM   68  H33 UNL     1       7.989   2.011  -3.704  1.00  0.00           H  
HETATM   69  H34 UNL     1       7.916   4.595  -1.779  1.00  0.00           H  
HETATM   70  H35 UNL     1       6.264   4.660  -2.473  1.00  0.00           H  
HETATM   71  H36 UNL     1       1.246   2.094   2.853  1.00  0.00           H  
CONECT    1    2   36   37   38
CONECT    2    3    4   39
CONECT    3   40   41
CONECT    4    5    5    6
CONECT    6    7   10
CONECT    7    8   42   43
CONECT    8    9   44   45
CONECT    9   10   46   47
CONECT   10   11   48
CONECT   11   12   12   13
CONECT   13   14   49
CONECT   14   15   50   51
CONECT   15   16   16   17
CONECT   17   18   21
CONECT   18   19   52   53
CONECT   19   20   54   55
CONECT   20   21   56   57
CONECT   21   22   58
CONECT   22   23   23   24
CONECT   24   25   59
CONECT   25   26   33   60
CONECT   26   27   61   62
CONECT   27   28   63   64
CONECT   28   29   65   66
CONECT   29   30   30
CONECT   30   31   32
CONECT   31   67   68
CONECT   32   69   70
CONECT   33   34   34   35
CONECT   35   71
END

HMDB0006117
     RDKit          3D
APGPR Enterostatin
 71 72  0  0  0  0  0  0  0  0999 V2000
   -2.8536    2.3327    2.9564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872    2.2138    1.4678 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8984    3.5569    0.9049 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4300    1.6872    1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2336    2.5505    0.6415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8550    0.3857    1.2988 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2031   -0.1149    0.9642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3887   -1.3901    1.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0730   -1.6131    2.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0820   -0.7448    1.8056 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3442   -1.4093    0.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0809   -0.7155   -0.3068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9182   -2.7493    0.7721 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1784   -3.3737   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8398   -2.7434   -0.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5401   -1.7949    0.2855 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0517   -3.1430   -1.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155   -4.1430   -2.5315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3080   -3.4004   -3.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2561   -2.3158   -3.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4100   -2.7715   -1.7796 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0078   -1.8110   -0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9177   -2.3033   -0.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837   -0.4560   -0.7492 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    0.3846    0.2259 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4719    1.2530   -0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2594    2.1342    0.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528    2.9867   -0.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1771    2.1512   -1.1536 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0344    2.6914   -1.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9720    1.8758   -2.6795 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0489    4.0997   -2.0897 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5840    1.2110    0.9943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3501    1.2243    0.6470 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9095    1.9918    2.0792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8326    2.0515    3.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6440    1.7452    3.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569    3.4121    3.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3208    1.5718    1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719    3.4751   -0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6577    4.1572    1.2820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2672   -0.3651   -0.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9733    0.6288    1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5809   -2.2579    1.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2497   -1.3114    2.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7981   -2.6834    2.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2450   -1.2131    3.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3342   -0.4176    2.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1358   -3.3233    1.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1084   -4.4583   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7469   -3.2846   -1.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2612   -4.4314   -2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4656   -5.0001   -2.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9226   -4.0759   -4.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5345   -2.9628   -4.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1964   -2.2732   -3.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7258   -1.3480   -3.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9745   -3.7620   -1.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0848    0.0408   -1.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1299   -0.3139    0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1341    0.5889   -1.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8885    1.8417   -1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6285    2.8469    0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7968    1.5106    1.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7076    3.6289   -1.1642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8207    3.6648    0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510    1.2202   -2.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9889    2.0112   -3.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9163    4.5947   -1.7794 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2635    4.6603   -2.4735 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2464    2.0936    2.8532 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  3
 30 31  1  0
 30 32  1  0
 25 33  1  0
 33 34  2  0
 33 35  1  0
 10  6  1  0
 21 17  1  0
  1 36  1  0
  1 37  1  0
  1 38  1  0
  2 39  1  6
  3 40  1  0
  3 41  1  0
  7 42  1  0
  7 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  1
 13 49  1  0
 14 50  1  0
 14 51  1  0
 18 52  1  0
 18 53  1  0
 19 54  1  0
 19 55  1  0
 20 56  1  0
 20 57  1  0
 21 58  1  6
 24 59  1  0
 25 60  1  1
 26 61  1  0
 26 62  1  0
 27 63  1  0
 27 64  1  0
 28 65  1  0
 28 66  1  0
 31 67  1  0
 31 68  1  0
 32 69  1  0
 32 70  1  0
 35 71  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Ala-pro-gly-pro-arg	MeSH
APGPR	MeSH
Procolipase activation peptide	MeSH
Alanyl-prolyl-glycyl-prolyl-arginine	MeSH
H-Ala-pro-gly-pro-arg-OH	HMDB
L-Alanyl-L-prolylglycyl-L-prolyl-L-arginine	HMDB
N2-[1-[N-(1-L-Alanyl-L-prolyl)glycyl]-L-prolyl] L-arginine	HMDB
(2S)-2-({[(2S)-1-[2-({[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)acetyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-5-carbamimidamidopentanoate	Generator, HMDB

Chemical Formula

C₂₁H₃₆N₈O₆

Average Molecular Weight

496.5605

Monoisotopic Molecular Weight

496.275780924

IUPAC Name

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

Traditional Name

enterostatin

CAS Registry Number

117830-79-2

SMILES

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/C21H36N8O6/c1-12(22)19(33)29-10-4-6-14(29)17(31)26-11-16(30)28-9-3-7-15(28)18(32)27-13(20(34)35)5-2-8-25-21(23)24/h12-15H,2-11,22H2,1H3,(H,26,31)(H,27,32)(H,34,35)(H4,23,24,25)/t12-,13-,14-,15-/m0/s1

InChI Key

ITZMJCSORYKOSI-AJNGGQMLSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzoyl derivatives

Direct Parent

Benzoyl derivatives

Alternative Parents

Substituents

Benzoyl
Benzaldehyde
Aryl-aldehyde
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aldehyde
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

benzaldehydes (CHEBI:17169 )
an aryl aldehyde (BENZALDEHYDE )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 10084574)

Source

Endogenous

Endogenous (HMDB: HMDB0006117)

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

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

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

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

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

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.73 g/L	ALOGPS
logP	-3	ALOGPS
logP	-5.4	ChemAxon
logS	-2.8	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	11	ChemAxon
Refractivity	123.7 m³·mol⁻¹	ChemAxon
Polarizability	50.75 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]+	213.599	31661259
DarkChem	[M-H]-	206.445	31661259
DeepCCS	[M+H]+	212.972	30932474
DeepCCS	[M-H]-	210.577	30932474
DeepCCS	[M-2H]-	243.461	30932474
DeepCCS	[M+Na]+	218.885	30932474
AllCCS	[M+H]+	212.1	32859911
AllCCS	[M+H-H2O]+	210.7	32859911
AllCCS	[M+NH4]+	213.4	32859911
AllCCS	[M+Na]+	213.8	32859911
AllCCS	[M-H]-	208.8	32859911
AllCCS	[M+Na-2H]-	209.1	32859911
AllCCS	[M+HCOO]-	209.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
APGPR Enterostatin	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	3899.4	Standard polar	33892256
APGPR Enterostatin	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	4080.1	Standard non polar	33892256
APGPR Enterostatin	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	4691.8	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
APGPR Enterostatin,1TMS,isomer #1	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	4240.4	Semi standard non polar	33892256
APGPR Enterostatin,1TMS,isomer #2	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	4362.4	Semi standard non polar	33892256
APGPR Enterostatin,1TMS,isomer #3	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	4452.1	Semi standard non polar	33892256
APGPR Enterostatin,1TMS,isomer #4	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	4255.8	Semi standard non polar	33892256
APGPR Enterostatin,1TMS,isomer #5	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	4211.7	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #1	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	4249.6	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #1	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	3980.0	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #1	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	8349.0	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #10	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	4349.0	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #10	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	4038.2	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #10	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	8477.7	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #11	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	4292.7	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #11	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	4028.4	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #11	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	8430.8	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #12	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	4382.4	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #12	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	4192.8	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #12	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	8486.0	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #13	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	4080.4	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #13	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	3946.3	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #13	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	8516.0	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #2	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	4324.1	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #2	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	3996.8	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #2	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	8483.1	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #3	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	4119.2	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #3	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	3924.6	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #3	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	8541.8	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #4	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	4099.2	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #4	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	3936.3	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #4	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	8541.2	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #5	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	4443.3	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #5	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	4107.9	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #5	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	8336.8	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #6	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	4336.3	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #6	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	4129.9	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #6	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	8463.1	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #7	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	4242.7	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #7	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	4019.6	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #7	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	8321.8	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #8	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	4190.8	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #8	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	4008.4	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #8	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	8307.6	Standard polar	33892256
APGPR Enterostatin,2TMS,isomer #9	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	4481.5	Semi standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #9	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	4059.5	Standard non polar	33892256
APGPR Enterostatin,2TMS,isomer #9	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	8365.1	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #1	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	4339.6	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #1	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	3986.7	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #1	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	7943.1	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #10	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	4510.0	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #10	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	3998.9	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #10	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	7792.2	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #11	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	4422.8	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #11	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	4144.3	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #11	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	8008.3	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #12	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	4340.9	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #12	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	4036.2	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #12	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	7870.0	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #13	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	4284.2	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #13	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	4012.0	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #13	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	7852.8	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #14	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	4357.3	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #14	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	4143.5	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #14	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	7882.8	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #15	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	4269.4	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #15	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	4094.2	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #15	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	8079.6	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #16	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	4208.7	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #16	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	4091.9	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #16	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	8071.0	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #17	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	4087.0	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #17	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	3976.6	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #17	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	7955.0	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #18	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	4382.2	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #18	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	3936.6	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #18	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	7848.4	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #19	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	4330.9	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #19	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	3926.9	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #19	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	7786.7	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #2	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	4221.0	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #2	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	4068.0	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #2	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	8125.2	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #20	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	4397.4	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #20	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	4140.8	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #20	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	7724.0	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #21	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	4187.0	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #21	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	3956.1	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #21	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	8080.1	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #22	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	4251.9	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #22	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	4097.8	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #22	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	8129.0	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #23	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	4209.0	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #23	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	4082.7	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #23	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	8085.9	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #3	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	4144.6	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #3	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	3954.2	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #3	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	8012.0	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #4	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	4122.7	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #4	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	3955.7	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #4	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	8030.6	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #5	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	4374.6	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #5	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	3895.9	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #5	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	7882.9	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #6	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	4226.1	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #6	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	3934.0	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #6	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	8148.6	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #7	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	4201.0	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #7	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	3943.7	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #7	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	8137.5	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #8	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	4245.2	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #8	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	4039.7	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #8	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	8143.9	Standard polar	33892256
APGPR Enterostatin,3TMS,isomer #9	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	4008.1	Semi standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #9	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	3903.5	Standard non polar	33892256
APGPR Enterostatin,3TMS,isomer #9	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	8267.4	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #1	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	4412.4	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #1	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	3881.7	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #1	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	7235.5	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #10	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	4256.7	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #10	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	3836.4	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #10	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	7386.5	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #11	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	4282.6	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #11	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	3994.6	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #11	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	7291.8	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #12	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	4122.9	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #12	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	3886.8	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #12	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	7831.8	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #13	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	4186.0	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #13	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	3982.7	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #13	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	7846.6	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #14	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	4149.6	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #14	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	3993.6	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #14	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	7833.2	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #15	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	4471.2	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #15	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	4002.6	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #15	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	7243.0	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #16	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	4410.0	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #16	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	3911.7	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #16	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	7146.4	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #17	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	4359.8	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #17	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	3894.3	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #17	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	7117.0	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #18	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	4405.3	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #18	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	4099.1	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #18	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	7010.1	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #19	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	4392.7	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #19	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	4090.7	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #19	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	7562.0	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #2	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	4342.5	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #2	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	4051.5	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #2	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	7640.6	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #20	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	4322.7	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #20	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	4070.9	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #20	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	7553.1	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #21	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	4392.4	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #21	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	4192.1	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #21	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	7594.2	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #22	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	4212.0	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #22	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	3956.0	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #22	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	7425.9	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #23	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	4270.9	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #23	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	4083.3	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #23	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	7473.8	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #24	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	4227.5	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #24	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	4058.9	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #24	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	7456.2	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #25	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	4172.4	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #25	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	4062.4	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #25	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	7717.0	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #26	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	4251.8	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #26	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	3836.0	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #26	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	7311.1	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #27	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	4291.1	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #27	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	4038.6	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #27	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	7263.9	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #28	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	4245.9	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #28	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	4029.8	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #28	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	7198.4	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #29	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	4291.2	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #29	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	4214.9	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #29	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	7186.6	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #3	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	4252.7	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #3	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	3944.3	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #3	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	7524.2	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #30	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	4154.3	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #30	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	4013.2	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #30	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	7775.9	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #4	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	4226.3	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #4	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	3940.5	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #4	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	7537.2	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #5	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	4264.0	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #5	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	4024.5	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #5	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	7533.4	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #6	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	4196.2	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #6	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	4048.4	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #6	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	7786.3	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #7	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	4156.3	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #7	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	4050.8	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #7	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	7803.7	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #8	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	4063.2	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #8	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	3927.5	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #8	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	7698.1	Standard polar	33892256
APGPR Enterostatin,4TMS,isomer #9	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	4288.7	Semi standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #9	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	3828.0	Standard non polar	33892256
APGPR Enterostatin,4TMS,isomer #9	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	7417.8	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #1	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	4408.3	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #1	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	3940.7	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #1	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	6767.5	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #10	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	4198.4	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #10	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	3991.9	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #10	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	7181.1	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #11	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	4171.9	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #11	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	4024.3	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #11	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	7494.1	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #12	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	4213.7	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #12	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	3781.6	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #12	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	6999.3	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #13	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	4238.6	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #13	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	3945.8	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #13	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	6906.7	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #14	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	4207.3	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #14	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	3953.2	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #14	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	6870.0	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #15	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	4246.6	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #15	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	4098.2	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #15	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	6781.4	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #16	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	4131.4	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #16	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	3946.3	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #16	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	7560.0	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #17	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	4456.9	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #17	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	3948.6	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #17	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	6673.1	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #18	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	4393.7	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #18	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	3934.0	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #18	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	6654.4	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #19	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	4440.3	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #19	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	4129.7	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #19	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	6554.4	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #2	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	4338.1	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #2	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	3852.8	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #2	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	6646.6	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #20	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	4307.1	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #20	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	3836.6	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #20	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	6526.7	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #21	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	4341.6	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #21	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	4037.1	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #21	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	6433.0	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #22	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	4299.2	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #22	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	4016.2	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #22	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	6404.1	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #23	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	4350.8	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #23	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	4196.0	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #23	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	6316.8	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #24	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	4309.4	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #24	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	4028.9	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #24	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	7157.2	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #25	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	4406.7	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #25	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	4142.4	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #25	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	7207.6	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #26	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	4338.6	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #26	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	4122.0	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #26	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	7194.0	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #27	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	4203.3	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #27	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	4009.6	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #27	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	7083.5	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #28	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	4201.8	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #28	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	3960.4	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #28	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	6800.3	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #29	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	4257.4	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #29	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	4141.6	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #29	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	6749.3	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #3	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	4298.8	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #3	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	3845.1	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #3	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	6645.3	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #30	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	4216.9	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #30	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	4133.0	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #30	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	6679.3	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #4	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	4334.7	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #4	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	3997.6	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #4	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	6511.7	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #5	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	4332.7	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #5	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	4024.6	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #5	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	7258.4	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #6	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	4287.4	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #6	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	4017.9	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #6	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	7271.6	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #7	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	4354.3	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #7	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	4097.9	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #7	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	7276.6	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #8	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	4171.2	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #8	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	3906.0	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #8	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	7160.3	Standard polar	33892256
APGPR Enterostatin,5TMS,isomer #9	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	4225.7	Semi standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #9	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	3996.2	Standard non polar	33892256
APGPR Enterostatin,5TMS,isomer #9	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	7173.9	Standard polar	33892256
APGPR Enterostatin,1TBDMS,isomer #1	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	4452.3	Semi standard non polar	33892256
APGPR Enterostatin,1TBDMS,isomer #2	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	4552.1	Semi standard non polar	33892256
APGPR Enterostatin,1TBDMS,isomer #3	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	4638.3	Semi standard non polar	33892256
APGPR Enterostatin,1TBDMS,isomer #4	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	4471.8	Semi standard non polar	33892256
APGPR Enterostatin,1TBDMS,isomer #5	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	4441.5	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #1	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	4661.3	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #1	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	4353.9	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #1	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	8094.8	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #10	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	4753.0	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #10	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	4351.4	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #10	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	8159.8	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #11	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	4694.9	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #11	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	4328.6	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #11	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	8107.4	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #12	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	4797.2	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #12	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	4481.6	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #12	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	8158.3	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #13	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	4542.6	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #13	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	4296.1	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #13	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	8296.5	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #2	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	4730.4	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #2	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	4321.9	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #2	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	8171.6	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #3	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	4575.3	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #3	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	4300.8	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #3	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	8331.5	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #4	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	4543.1	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #4	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	4297.5	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #4	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	8312.6	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #5	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	4834.1	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #5	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	4406.7	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #5	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	7965.9	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #6	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	4774.0	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #6	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	4462.5	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #6	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	8177.0	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #7	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	4651.9	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #7	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	4381.4	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #7	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	8066.1	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #8	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	4609.4	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #8	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	4355.6	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #8	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	8042.0	Standard polar	33892256
APGPR Enterostatin,2TBDMS,isomer #9	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	4888.4	Semi standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #9	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	4350.7	Standard non polar	33892256
APGPR Enterostatin,2TBDMS,isomer #9	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	7800.3	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #1	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	4930.7	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #1	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	4446.8	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #1	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	7559.1	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #10	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	5085.7	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #10	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	4424.5	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #10	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	7109.2	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #11	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	5051.2	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #11	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	4570.0	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #11	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	7579.4	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #12	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	4933.3	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #12	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	4487.1	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #12	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	7507.9	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #13	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	4863.5	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #13	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	4451.3	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #13	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	7481.4	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #14	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	4973.2	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #14	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	4585.4	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #14	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	7492.7	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #15	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	4903.2	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #15	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	4581.4	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #15	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	7758.0	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #16	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	4839.2	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #16	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	4562.9	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #16	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	7739.4	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #17	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	4723.9	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #17	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	4466.1	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #17	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	7657.2	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #18	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	4980.7	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #18	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	4376.9	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #18	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	7291.4	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #19	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	4908.9	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #19	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	4356.2	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #19	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	7224.5	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #2	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	4878.9	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #2	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	4559.6	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #2	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	7803.6	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #20	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	4993.8	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #20	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	4557.9	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #20	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	7182.0	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #21	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	4799.8	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #21	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	4400.2	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #21	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	7752.5	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #22	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	4879.8	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #22	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	4539.6	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #22	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	7782.1	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #23	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	4814.4	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #23	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	4518.4	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #23	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	7733.7	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #3	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	4796.3	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #3	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	4470.7	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #3	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	7726.4	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #4	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	4743.6	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #4	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	4461.1	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #4	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	7723.3	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #5	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	4964.3	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #5	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	4354.4	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #5	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	7305.6	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #6	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	4841.8	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #6	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	4402.3	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #6	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	7824.3	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #7	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	4781.9	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #7	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	4402.6	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #7	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	7794.5	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #8	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	4870.2	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #8	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	4500.4	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #8	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	7797.9	Standard polar	33892256
APGPR Enterostatin,3TBDMS,isomer #9	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	4671.3	Semi standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #9	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	4409.1	Standard non polar	33892256
APGPR Enterostatin,3TBDMS,isomer #9	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	8013.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - APGPR Enterostatin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9331200000-e17547b3084d5e946ba7	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - APGPR Enterostatin GC-MS (1 TMS) - 70eV, Positive	splash10-00dl-9321020000-dc00034c773e0eacec8a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - APGPR Enterostatin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - APGPR Enterostatin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 - APGPR Enterostatin 10V, Positive-QTOF	splash10-0002-3822900000-bf575ffecf20de104707	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 20V, Positive-QTOF	splash10-002f-7931000000-04d78f53a54fd2c77bcc	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 40V, Positive-QTOF	splash10-00fr-9620000000-76f0df5682dda6f687b1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 10V, Negative-QTOF	splash10-0udi-1000900000-3a5434deb4d11d3ee6a7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 20V, Negative-QTOF	splash10-0a4i-6432900000-ee05f2b260b1e79be45b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 40V, Negative-QTOF	splash10-0596-9310100000-09ae0ee586b3d8ea2b85	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 10V, Negative-QTOF	splash10-0f6t-2000900000-a65ea133a6df00df3087	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 20V, Negative-QTOF	splash10-0a6r-2101900000-f9459d79d1f036613677	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 40V, Negative-QTOF	splash10-0006-9320100000-b44a31e7e4fb479a6aa4	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 10V, Positive-QTOF	splash10-0002-0000900000-6a40962b10f4881333f8	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 20V, Positive-QTOF	splash10-000t-2120900000-adc7331f3479a2c9aed6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - APGPR Enterostatin 40V, Positive-QTOF	splash10-00di-4390000000-98814835c5c1e558df62	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	1.26 +/- 0.258 uM	Adult (>18 years old)	Female	Normal	10084574	details
Blood	Detected and Quantified	1.46 +/- 0.10 uM	Adult (>18 years old)	Female	Normal	10084574	details
Blood	Detected and Quantified	1.48 +/- 0.16 uM	Adult (>18 years old)	Female	Normal	10084574	details
Blood	Detected and Quantified	1.40 +/- 0.25 uM	Adult (>18 years old)	Female	Normal	10084574	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023831

KNApSAcK ID

Not Available

Chemspider ID

2340236

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3082883

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

Bowyer R C; Jehanli A M; Patel G; Hermon-Taylor J Development of enzyme-linked immunosorbent assay for free human pro-colipase activation peptide (APGPR). Clinica chimica acta; international journal of clinical chemistry (1991), 200(2-3), 137-52.

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 APGPR Enterostatin (HMDB0006117)

MOL for HMDB0006117 (APGPR Enterostatin)

3D MOL for HMDB0006117 (APGPR Enterostatin)

3D SDF for HMDB0006117 (APGPR Enterostatin)

3D-SDF for HMDB0006117 (APGPR Enterostatin)

PDB for HMDB0006117 (APGPR Enterostatin)

3D PDB for HMDB0006117 (APGPR Enterostatin)

SMILES for HMDB0006117 (APGPR Enterostatin)

INCHI for HMDB0006117 (APGPR Enterostatin)

Structure for HMDB0006117 (APGPR Enterostatin)

3D Structure for HMDB0006117 (APGPR Enterostatin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra