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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:30:04 UTC

Update Date

2022-03-07 02:55:40 UTC

HMDB ID

HMDB0038221

Secondary Accession Numbers

HMDB38221

Metabolite Identification

Common Name

Pentigetide

Description

Pentigetide, also known as pentyde, belongs to the class of organic compounds known as hydroxyisoflavonoids. These are organic compounds containing an isoflavonoid skeleton carrying one or more hydroxyl groups. Based on a literature review very few articles have been published on Pentigetide.

Structure

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


  Mrv0541 05061310182D          

 41 41  0  0  0  0            999 V2000
    5.1735    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1735    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4120   -2.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3320   -3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4299   -6.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8948   -2.5896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940   -5.2654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6015   -5.8596    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4590    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6794   -2.8445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4093   -5.0105    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7445   -2.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0430   -7.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2817   -3.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0116   -5.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2378   -4.2035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2925   -2.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3861   -5.6047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3169    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8880    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6024    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4590   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8509   -3.6515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963   -5.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771   -2.5474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655   -6.0724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8277   -6.9637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8715   -8.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5029   -2.8867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4532   -3.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1599   -4.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4532   -4.4585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1210   -1.4855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 14 19  1  6  0  0  0
 20 12  1  0  0  0  0
 21 11  1  0  0  0  0
 10 23  1  6  0  0  0
 24 22  2  0  0  0  0
 25 22  1  0  0  0  0
 26  5  1  0  0  0  0
 26 22  1  0  0  0  0
 11 27  1  6  0  0  0
 27 19  2  0  0  0  0
 12 28  1  1  0  0  0
 28 18  2  0  0  0  0
 13 29  1  6  0  0  0
 29 17  2  0  0  0  0
 30  6  1  0  0  0  0
 30 14  1  0  0  0  0
 30 20  1  0  0  0  0
 31  9  1  0  0  0  0
 32 15  2  0  0  0  0
 33 15  1  0  0  0  0
 34 16  2  0  0  0  0
 35 16  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 39 20  2  0  0  0  0
 40 21  2  0  0  0  0
 41 21  1  0  0  0  0
M  END

HMDB0038221
     RDKit          3D
Pentigetide
 77 77  0  0  0  0  0  0  0  0999 V2000
    8.8250   -1.0094   -2.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4628    0.0064   -1.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8400    0.1040   -2.0548 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8871    1.0241   -0.8857 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4650    1.2315   -0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    0.0820   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2654    0.4234   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3854   -0.5919    0.5205 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9817   -0.1961    0.4785 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045    0.8258    1.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    1.5729    1.8471 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    1.2603    1.0856 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4496    1.3491    2.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0814   -0.0472    2.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0617   -0.7539    1.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2281    0.3148    0.3796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2936    0.5118   -0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0885    1.5497   -1.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491   -0.3401   -1.5875 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9790    0.4326   -2.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569   -0.4758   -3.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944   -1.6831   -3.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7365    0.0477   -4.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2315   -1.0047   -0.7847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335   -0.3652    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595    1.0089    0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590   -1.0471    0.8559 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0937   -2.5228    0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8899   -3.1151    1.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3254   -0.3886    0.8266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0495   -0.3824   -0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5948   -1.0196   -1.3542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3723    0.3007   -0.2852 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3712   -0.6923   -0.5922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6522    0.8807    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9374    1.5821    1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9935    0.9135    1.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9544    2.9669    1.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7797   -0.9536    1.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657   -0.8095    2.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0147   -1.4640    2.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2298   -1.7491   -2.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5437    0.0211   -1.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0825    0.2538   -3.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5339    1.6451   -0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2032    2.1767   -0.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433   -0.8318   -0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1596   -0.0502    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1473    1.4583    0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029    0.5647   -1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4611   -1.5245   -0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4446    2.5776    1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0799    2.2544    0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2210    1.6541    3.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394    0.0629    2.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9823   -1.4204    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7616   -1.4310    1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6507   -1.1090   -2.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6521    0.4243   -4.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0722   -2.4429    2.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
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  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
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 20 21  1  0
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 19 24  1  0
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 36 37  2  0
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  8 39  1  0
 39 40  2  0
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 16 12  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  0
  5 46  1  0
  5 47  1  0
  6 48  1  0
  6 49  1  0
  7 50  1  0
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  8 52  1  6
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 27 66  1  1
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 28 68  1  0
 29 69  1  0
 32 70  1  0
 33 71  1  6
 34 72  1  0
 34 73  1  0
 35 74  1  0
 35 75  1  0
 38 76  1  0
 41 77  1  0
M  END


  Mrv0541 05061310182D          

 41 41  0  0  0  0            999 V2000
    5.1735    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1570   -3.3320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1735    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4120   -2.5474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8509   -3.6515    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7963   -5.5625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0771   -2.5474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.1599   -4.5006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4532   -4.4585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1210   -1.4855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0301    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7445    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
 10  7  1  0  0  0  0
 11  3  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  4  1  0  0  0  0
 15  7  1  0  0  0  0
 16  8  1  0  0  0  0
 17 10  1  0  0  0  0
 18 13  1  0  0  0  0
 14 19  1  6  0  0  0
 20 12  1  0  0  0  0
 21 11  1  0  0  0  0
 10 23  1  6  0  0  0
 24 22  2  0  0  0  0
 25 22  1  0  0  0  0
 26  5  1  0  0  0  0
 26 22  1  0  0  0  0
 11 27  1  6  0  0  0
 27 19  2  0  0  0  0
 12 28  1  1  0  0  0
 28 18  2  0  0  0  0
 13 29  1  6  0  0  0
 29 17  2  0  0  0  0
 30  6  1  0  0  0  0
 30 14  1  0  0  0  0
 30 20  1  0  0  0  0
 31  9  1  0  0  0  0
 32 15  2  0  0  0  0
 33 15  1  0  0  0  0
 34 16  2  0  0  0  0
 35 16  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 39 20  2  0  0  0  0
 40 21  2  0  0  0  0
 41 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038221

> <DATABASE_NAME>
hmdb

> <SMILES>
N[C@@H](CC(O)=O)C(\O)=N\[C@@H](CO)C(\O)=N\[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1\C(O)=N\[C@@H](CCCNC(N)=N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H36N8O11/c23-10(7-15(32)33)17(36)29-13(9-31)18(37)28-12(8-16(34)35)20(39)30-6-2-4-14(30)19(38)27-11(21(40)41)3-1-5-26-22(24)25/h10-14,31H,1-9,23H2,(H,27,38)(H,28,37)(H,29,36)(H,32,33)(H,34,35)(H,40,41)(H4,24,25,26)/t10-,11-,12-,13-,14-/m0/s1

> <INCHI_KEY>
KQDIGHIVUUADBZ-PEDHHIEDSA-N

> <FORMULA>
C22H36N8O11

> <MOLECULAR_WEIGHT>
588.5682

> <EXACT_MASS>
588.250354034

> <JCHEM_ACCEPTOR_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
56.4177028756046

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(Z)-{[(2S)-1-[(2S)-2-[(Z)-[(2S)-2-[(Z)-[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxypropanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-5-carbamimidamidopentanoic acid

> <ALOGPS_LOGP>
-2.62

> <JCHEM_LOGP>
-7.582638550684196

> <ALOGPS_LOGS>
-3.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.4457236634082227

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.9613945649757127

> <JCHEM_PKA_STRONGEST_BASIC>
12.04324774961602

> <JCHEM_POLAR_SURFACE_AREA>
338.13

> <JCHEM_REFRACTIVITY>
145.9814000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.18e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(Z)-{[(2S)-1-[(2S)-2-[(Z)-[(2S)-2-[(Z)-[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxypropanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-5-carbamimidamidopentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038221
     RDKit          3D
Pentigetide
 77 77  0  0  0  0  0  0  0  0999 V2000
    8.8250   -1.0094   -2.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4628    0.0064   -1.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8400    0.1040   -2.0548 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8871    1.0241   -0.8857 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4650    1.2315   -0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    0.0820   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2654    0.4234   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3854   -0.5919    0.5205 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9817   -0.1961    0.4785 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045    0.8258    1.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    1.5729    1.8471 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    1.2603    1.0856 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4496    1.3491    2.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0814   -0.0472    2.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0617   -0.7539    1.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2281    0.3148    0.3796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2936    0.5118   -0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0885    1.5497   -1.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491   -0.3401   -1.5875 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9790    0.4326   -2.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569   -0.4758   -3.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944   -1.6831   -3.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7365    0.0477   -4.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2315   -1.0047   -0.7847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335   -0.3652    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595    1.0089    0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590   -1.0471    0.8559 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0937   -2.5228    0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8899   -3.1151    1.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3254   -0.3886    0.8266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0495   -0.3824   -0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5948   -1.0196   -1.3542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3723    0.3007   -0.2852 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3712   -0.6923   -0.5922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6522    0.8807    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9374    1.5821    1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9935    0.9135    1.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9544    2.9669    1.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7797   -0.9536    1.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657   -0.8095    2.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0147   -1.4640    2.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2298   -1.7491   -2.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5437    0.0211   -1.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0825    0.2538   -3.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5339    1.6451   -0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0672    1.2965   -1.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032    2.1767   -0.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433   -0.8318   -0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1596   -0.0502    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1473    1.4583    0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029    0.5647   -1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4611   -1.5245   -0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4446    2.5776    1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0799    2.2544    0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559    2.1087    2.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    1.6541    3.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394    0.0629    2.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -0.5176    3.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823   -1.4204    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7616   -1.4310    1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6507   -1.1090   -2.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    1.2379   -2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2670    0.8016   -3.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6521    0.4243   -4.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849    1.3817    0.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6755   -0.9263    1.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5112   -2.8285   -0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0477   -2.8916    0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9049   -4.1056    1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1348   -1.3795   -2.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3435    1.1276   -1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3277   -0.8546   -1.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0798   -1.5871   -0.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5984    0.0288    1.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7726    1.5339    1.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1146    3.5138    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722   -2.4429    2.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 19 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
  8 39  1  0
 39 40  2  0
 39 41  1  0
 16 12  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  0
  5 46  1  0
  5 47  1  0
  6 48  1  0
  6 49  1  0
  7 50  1  0
  7 51  1  0
  8 52  1  6
 11 53  1  0
 12 54  1  6
 13 55  1  0
 13 56  1  0
 14 57  1  0
 14 58  1  0
 15 59  1  0
 15 60  1  0
 19 61  1  6
 20 62  1  0
 20 63  1  0
 23 64  1  0
 26 65  1  0
 27 66  1  1
 28 67  1  0
 28 68  1  0
 29 69  1  0
 32 70  1  0
 33 71  1  6
 34 72  1  0
 34 73  1  0
 35 74  1  0
 35 75  1  0
 38 76  1  0
 41 77  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       9.657   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.760  -6.220   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.657   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.236  -4.755   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.991   3.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.220  -6.220   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.802 -12.444   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.670  -4.834   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.095  -9.829   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.123 -10.938   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.323   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.135  -5.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.631  -9.353   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.990  -3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.947 -13.475   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.526  -5.864   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.022  -9.908   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.311  -7.847   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.990  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.279  -4.279   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.990   0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      12.324   0.770   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      -2.587 -10.462   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0      13.658   0.000   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0      10.991   0.000   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0      12.324   2.310   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0       8.323  -1.540   0.000  0.00  0.00           N+0
HETATM   28  N   UNK     0       3.455  -6.816   0.000  0.00  0.00           N+0
HETATM   29  N   UNK     0       1.486 -10.383   0.000  0.00  0.00           N+0
HETATM   30  N   UNK     0       5.744  -4.755   0.000  0.00  0.00           N+0
HETATM   31  O   UNK     0       4.416 -11.335   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -3.412 -12.999   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -1.627 -14.981   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -0.939  -5.389   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       0.846  -7.371   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -0.298  -8.401   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       0.846  -8.323   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       5.656  -1.540   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       3.959  -2.773   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       5.656   0.000   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       6.990   2.310   0.000  0.00  0.00           O+0
CONECT    1    3    5                                                       
CONECT    2    4    6                                                       
CONECT    3    1   11                                                       
CONECT    4    2   14                                                       
CONECT    5    1   26                                                       
CONECT    6    2   30                                                       
CONECT    7   10   15                                                       
CONECT    8   12   16                                                       
CONECT    9   13   31                                                       
CONECT   10    7   17   23                                                  
CONECT   11    3   21   27                                                  
CONECT   12    8   20   28                                                  
CONECT   13    9   18   29                                                  
CONECT   14    4   19   30                                                  
CONECT   15    7   32   33                                                  
CONECT   16    8   34   35                                                  
CONECT   17   10   29   36                                                  
CONECT   18   13   28   37                                                  
CONECT   19   14   27   38                                                  
CONECT   20   12   30   39                                                  
CONECT   21   11   40   41                                                  
CONECT   22   24   25   26                                                  
CONECT   23   10                                                            
CONECT   24   22                                                            
CONECT   25   22                                                            
CONECT   26    5   22                                                       
CONECT   27   11   19                                                       
CONECT   28   12   18                                                       
CONECT   29   13   17                                                       
CONECT   30    6   14   20                                                  
CONECT   31    9                                                            
CONECT   32   15                                                            
CONECT   33   15                                                            
CONECT   34   16                                                            
CONECT   35   16                                                            
CONECT   36   17                                                            
CONECT   37   18                                                            
CONECT   38   19                                                            
CONECT   39   20                                                            
CONECT   40   21                                                            
CONECT   41   21                                                            
MASTER        0    0    0    0    0    0    0    0   41    0   82    0
END

COMPND    HMDB0038221
HETATM    1  N1  UNL     1       8.825  -1.009  -2.115  1.00  0.00           N  
HETATM    2  C1  UNL     1       9.463   0.006  -1.687  1.00  0.00           C  
HETATM    3  N2  UNL     1      10.840   0.104  -2.055  1.00  0.00           N  
HETATM    4  N3  UNL     1       8.887   1.024  -0.886  1.00  0.00           N  
HETATM    5  C2  UNL     1       7.465   1.231  -0.824  1.00  0.00           C  
HETATM    6  C3  UNL     1       6.733   0.082  -0.117  1.00  0.00           C  
HETATM    7  C4  UNL     1       5.265   0.423  -0.118  1.00  0.00           C  
HETATM    8  C5  UNL     1       4.385  -0.592   0.520  1.00  0.00           C  
HETATM    9  N4  UNL     1       2.982  -0.196   0.479  1.00  0.00           N  
HETATM   10  C6  UNL     1       2.504   0.826   1.100  1.00  0.00           C  
HETATM   11  O1  UNL     1       3.415   1.573   1.847  1.00  0.00           O  
HETATM   12  C7  UNL     1       1.108   1.260   1.086  1.00  0.00           C  
HETATM   13  C8  UNL     1       0.450   1.349   2.424  1.00  0.00           C  
HETATM   14  C9  UNL     1      -0.081  -0.047   2.660  1.00  0.00           C  
HETATM   15  C10 UNL     1       0.062  -0.754   1.317  1.00  0.00           C  
HETATM   16  N5  UNL     1       0.228   0.315   0.380  1.00  0.00           N  
HETATM   17  C11 UNL     1      -0.294   0.512  -0.894  1.00  0.00           C  
HETATM   18  O2  UNL     1       0.089   1.550  -1.564  1.00  0.00           O  
HETATM   19  C12 UNL     1      -1.249  -0.340  -1.587  1.00  0.00           C  
HETATM   20  C13 UNL     1      -1.979   0.433  -2.662  1.00  0.00           C  
HETATM   21  C14 UNL     1      -2.957  -0.476  -3.358  1.00  0.00           C  
HETATM   22  O3  UNL     1      -3.094  -1.683  -3.052  1.00  0.00           O  
HETATM   23  O4  UNL     1      -3.736   0.048  -4.378  1.00  0.00           O  
HETATM   24  N6  UNL     1      -2.232  -1.005  -0.785  1.00  0.00           N  
HETATM   25  C15 UNL     1      -3.034  -0.365   0.019  1.00  0.00           C  
HETATM   26  O5  UNL     1      -2.860   1.009   0.037  1.00  0.00           O  
HETATM   27  C16 UNL     1      -4.059  -1.047   0.856  1.00  0.00           C  
HETATM   28  C17 UNL     1      -4.094  -2.523   0.613  1.00  0.00           C  
HETATM   29  O6  UNL     1      -4.890  -3.115   1.607  1.00  0.00           O  
HETATM   30  N7  UNL     1      -5.325  -0.389   0.827  1.00  0.00           N  
HETATM   31  C18 UNL     1      -6.049  -0.382  -0.236  1.00  0.00           C  
HETATM   32  O7  UNL     1      -5.595  -1.020  -1.354  1.00  0.00           O  
HETATM   33  C19 UNL     1      -7.372   0.301  -0.285  1.00  0.00           C  
HETATM   34  N8  UNL     1      -8.371  -0.692  -0.592  1.00  0.00           N  
HETATM   35  C20 UNL     1      -7.652   0.881   1.095  1.00  0.00           C  
HETATM   36  C21 UNL     1      -8.937   1.582   1.163  1.00  0.00           C  
HETATM   37  O8  UNL     1      -9.993   0.913   1.268  1.00  0.00           O  
HETATM   38  O9  UNL     1      -8.954   2.967   1.111  1.00  0.00           O  
HETATM   39  C22 UNL     1       4.780  -0.954   1.903  1.00  0.00           C  
HETATM   40  O10 UNL     1       3.966  -0.809   2.879  1.00  0.00           O  
HETATM   41  O11 UNL     1       6.015  -1.464   2.264  1.00  0.00           O  
HETATM   42  H1  UNL     1       9.230  -1.749  -2.696  1.00  0.00           H  
HETATM   43  H2  UNL     1      11.544   0.021  -1.296  1.00  0.00           H  
HETATM   44  H3  UNL     1      11.083   0.254  -3.066  1.00  0.00           H  
HETATM   45  H4  UNL     1       9.534   1.645  -0.318  1.00  0.00           H  
HETATM   46  H5  UNL     1       7.067   1.296  -1.866  1.00  0.00           H  
HETATM   47  H6  UNL     1       7.203   2.177  -0.334  1.00  0.00           H  
HETATM   48  H7  UNL     1       6.943  -0.832  -0.706  1.00  0.00           H  
HETATM   49  H8  UNL     1       7.160  -0.050   0.898  1.00  0.00           H  
HETATM   50  H9  UNL     1       5.147   1.458   0.302  1.00  0.00           H  
HETATM   51  H10 UNL     1       5.003   0.565  -1.209  1.00  0.00           H  
HETATM   52  H11 UNL     1       4.461  -1.525  -0.077  1.00  0.00           H  
HETATM   53  H12 UNL     1       3.445   2.578   1.836  1.00  0.00           H  
HETATM   54  H13 UNL     1       1.080   2.254   0.568  1.00  0.00           H  
HETATM   55  H14 UNL     1      -0.356   2.109   2.362  1.00  0.00           H  
HETATM   56  H15 UNL     1       1.221   1.654   3.157  1.00  0.00           H  
HETATM   57  H16 UNL     1      -1.139   0.063   2.961  1.00  0.00           H  
HETATM   58  H17 UNL     1       0.562  -0.518   3.433  1.00  0.00           H  
HETATM   59  H18 UNL     1       0.982  -1.420   1.343  1.00  0.00           H  
HETATM   60  H19 UNL     1      -0.762  -1.431   1.188  1.00  0.00           H  
HETATM   61  H20 UNL     1      -0.651  -1.109  -2.186  1.00  0.00           H  
HETATM   62  H21 UNL     1      -2.566   1.238  -2.207  1.00  0.00           H  
HETATM   63  H22 UNL     1      -1.267   0.802  -3.435  1.00  0.00           H  
HETATM   64  H23 UNL     1      -4.652   0.424  -4.258  1.00  0.00           H  
HETATM   65  H24 UNL     1      -2.485   1.382   0.924  1.00  0.00           H  
HETATM   66  H25 UNL     1      -3.676  -0.926   1.915  1.00  0.00           H  
HETATM   67  H26 UNL     1      -4.511  -2.828  -0.347  1.00  0.00           H  
HETATM   68  H27 UNL     1      -3.048  -2.892   0.667  1.00  0.00           H  
HETATM   69  H28 UNL     1      -4.905  -4.106   1.410  1.00  0.00           H  
HETATM   70  H29 UNL     1      -6.135  -1.379  -2.117  1.00  0.00           H  
HETATM   71  H30 UNL     1      -7.343   1.128  -1.045  1.00  0.00           H  
HETATM   72  H31 UNL     1      -8.328  -0.855  -1.623  1.00  0.00           H  
HETATM   73  H32 UNL     1      -8.080  -1.587  -0.138  1.00  0.00           H  
HETATM   74  H33 UNL     1      -7.598   0.029   1.794  1.00  0.00           H  
HETATM   75  H34 UNL     1      -6.773   1.534   1.339  1.00  0.00           H  
HETATM   76  H35 UNL     1      -8.115   3.514   1.107  1.00  0.00           H  
HETATM   77  H36 UNL     1       6.072  -2.443   2.505  1.00  0.00           H  
CONECT    1    2    2   42
CONECT    2    3    4
CONECT    3   43   44
CONECT    4    5   45
CONECT    5    6   46   47
CONECT    6    7   48   49
CONECT    7    8   50   51
CONECT    8    9   39   52
CONECT    9   10   10
CONECT   10   11   12
CONECT   11   53
CONECT   12   13   16   54
CONECT   13   14   55   56
CONECT   14   15   57   58
CONECT   15   16   59   60
CONECT   16   17
CONECT   17   18   18   19
CONECT   19   20   24   61
CONECT   20   21   62   63
CONECT   21   22   22   23
CONECT   23   64
CONECT   24   25   25
CONECT   25   26   27
CONECT   26   65
CONECT   27   28   30   66
CONECT   28   29   67   68
CONECT   29   69
CONECT   30   31   31
CONECT   31   32   33
CONECT   32   70
CONECT   33   34   35   71
CONECT   34   72   73
CONECT   35   36   74   75
CONECT   36   37   37   38
CONECT   38   76
CONECT   39   40   40   41
CONECT   41   77
END

HMDB0038221
     RDKit          3D
Pentigetide
 77 77  0  0  0  0  0  0  0  0999 V2000
    8.8250   -1.0094   -2.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4628    0.0064   -1.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8400    0.1040   -2.0548 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8871    1.0241   -0.8857 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4650    1.2315   -0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    0.0820   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2654    0.4234   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3854   -0.5919    0.5205 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9817   -0.1961    0.4785 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5045    0.8258    1.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4148    1.5729    1.8471 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1075    1.2603    1.0856 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4496    1.3491    2.4245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0814   -0.0472    2.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0617   -0.7539    1.3174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2281    0.3148    0.3796 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2936    0.5118   -0.8945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0885    1.5497   -1.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491   -0.3401   -1.5875 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9790    0.4326   -2.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569   -0.4758   -3.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0944   -1.6831   -3.0524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7365    0.0477   -4.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2315   -1.0047   -0.7847 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335   -0.3652    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8595    1.0089    0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0590   -1.0471    0.8559 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0937   -2.5228    0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8899   -3.1151    1.6074 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3254   -0.3886    0.8266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0495   -0.3824   -0.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5948   -1.0196   -1.3542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3723    0.3007   -0.2852 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.3712   -0.6923   -0.5922 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6522    0.8807    1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9374    1.5821    1.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9935    0.9135    1.2676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9544    2.9669    1.1106 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7797   -0.9536    1.9029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657   -0.8095    2.8788 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0147   -1.4640    2.2644 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2298   -1.7491   -2.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5437    0.0211   -1.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0825    0.2538   -3.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5339    1.6451   -0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0672    1.2965   -1.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032    2.1767   -0.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433   -0.8318   -0.7062 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1596   -0.0502    0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1473    1.4583    0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0029    0.5647   -1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4611   -1.5245   -0.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4446    2.5776    1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0799    2.2544    0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559    2.1087    2.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2210    1.6541    3.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1394    0.0629    2.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -0.5176    3.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9823   -1.4204    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7616   -1.4310    1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6507   -1.1090   -2.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5657    1.2379   -2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2670    0.8016   -3.4353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6521    0.4243   -4.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4849    1.3817    0.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6755   -0.9263    1.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5112   -2.8285   -0.3468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0477   -2.8916    0.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9049   -4.1056    1.4098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1348   -1.3795   -2.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3435    1.1276   -1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3277   -0.8546   -1.6227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0798   -1.5871   -0.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5984    0.0288    1.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7726    1.5339    1.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1146    3.5138    1.1070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0722   -2.4429    2.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 19 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
  8 39  1  0
 39 40  2  0
 39 41  1  0
 16 12  1  0
  1 42  1  0
  3 43  1  0
  3 44  1  0
  4 45  1  0
  5 46  1  0
  5 47  1  0
  6 48  1  0
  6 49  1  0
  7 50  1  0
  7 51  1  0
  8 52  1  6
 11 53  1  0
 12 54  1  6
 13 55  1  0
 13 56  1  0
 14 57  1  0
 14 58  1  0
 15 59  1  0
 15 60  1  0
 19 61  1  6
 20 62  1  0
 20 63  1  0
 23 64  1  0
 26 65  1  0
 27 66  1  1
 28 67  1  0
 28 68  1  0
 29 69  1  0
 32 70  1  0
 33 71  1  6
 34 72  1  0
 34 73  1  0
 35 74  1  0
 35 75  1  0
 38 76  1  0
 41 77  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Pentyde	Kegg
Aspartylserylaspartylprolylarginine	HMDB
Hamburger pentapeptide	HMDB
HEPP	HMDB
Human ige pentapeptide	HMDB
Pentigetid	HMDB
Pentigetida	HMDB
Pentigetidum	HMDB
Pentigide	HMDB
IgE pentapeptide	MeSH
PentapeptideDSDRR	MeSH
Asp-ser-asp-pro-arg	MeSH
Aspartyl-seryl-aspartyl-prolyl-arginine	MeSH
Pentigide, (L-asp-D-ser-L-asp-L-pro-L-arg)-isomer	MeSH

Chemical Formula

C₂₂H₃₆N₈O₁₁

Average Molecular Weight

588.5682

Monoisotopic Molecular Weight

588.250354034

IUPAC Name

(2S)-2-[(Z)-{[(2S)-1-[(2S)-2-[(Z)-[(2S)-2-[(Z)-[(2S)-2-amino-3-carboxy-1-hydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-3-carboxypropanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-5-carbamimidamidopentanoic acid

Traditional Name

CAS Registry Number

62087-72-3

SMILES

N[C@@H](CC(O)=O)C(\O)=N\[C@@H](CO)C(\O)=N\[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1\C(O)=N\[C@@H](CCCNC(N)=N)C(O)=O

InChI Identifier

InChI=1S/C22H36N8O11/c23-10(7-15(32)33)17(36)29-13(9-31)18(37)28-12(8-16(34)35)20(39)30-6-2-4-14(30)19(38)27-11(21(40)41)3-1-5-26-22(24)25/h10-14,31H,1-9,23H2,(H,27,38)(H,28,37)(H,29,36)(H,32,33)(H,34,35)(H,40,41)(H4,24,25,26)/t10-,11-,12-,13-,14-/m0/s1

InChI Key

KQDIGHIVUUADBZ-PEDHHIEDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxyisoflavonoids. These are organic compounds containing an isoflavonoid skeleton carrying one or more hydroxyl groups.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Hydroxyisoflavonoids

Direct Parent

Hydroxyisoflavonoids

Alternative Parents

Substituents

Hydroxyisoflavonoid
Isoflav-3-enone skeleton
7-hydroxycoumarin
Hydroxycoumarin
Coumarin
Benzopyran
1-benzopyran
Anisole
Resorcinol
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Monocyclic benzene moiety
Pyran
Benzenoid
Heteroaromatic compound
Lactone
Ether
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

aromatic ether (CHEBI:69087 )
resorcinols (CHEBI:69087 )
coumarins (CHEBI:69087 )
Other Flavonoids (LMPK12160018 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0038221)
Cytoplasm (HMDB: HMDB0038221)

Source

Exogenous

Food

Food (HMDB: HMDB0038221)

Not Available

Nutrient (HMDB: HMDB0038221)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	185 - 200 °C	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	0.22 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-7.6	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	2.96	ChemAxon
pKa (Strongest Basic)	12.04	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	18	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	338.13 Å²	ChemAxon
Rotatable Bond Count	17	ChemAxon
Refractivity	145.98 m³·mol⁻¹	ChemAxon
Polarizability	56.42 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	232.739	31661259
DarkChem	[M-H]-	219.881	31661259
DeepCCS	[M+H]+	226.674	30932474
DeepCCS	[M-H]-	224.824	30932474
DeepCCS	[M-2H]-	258.095	30932474
DeepCCS	[M+Na]+	232.28	30932474
AllCCS	[M+H]+	221.9	32859911
AllCCS	[M+H-H2O]+	221.2	32859911
AllCCS	[M+NH4]+	222.6	32859911
AllCCS	[M+Na]+	222.8	32859911
AllCCS	[M-H]-	227.7	32859911
AllCCS	[M+Na-2H]-	229.3	32859911
AllCCS	[M+HCOO]-	231.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Pentigetide	N[C@@H](CC(O)=O)C(\O)=N\[C@@H](CO)C(\O)=N\[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1\C(O)=N\[C@@H](CCCNC(N)=N)C(O)=O	4113.3	Standard polar	33892256
Pentigetide	N[C@@H](CC(O)=O)C(\O)=N\[C@@H](CO)C(\O)=N\[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1\C(O)=N\[C@@H](CCCNC(N)=N)C(O)=O	4408.8	Standard non polar	33892256
Pentigetide	N[C@@H](CC(O)=O)C(\O)=N\[C@@H](CO)C(\O)=N\[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1\C(O)=N\[C@@H](CCCNC(N)=N)C(O)=O	5504.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Pentigetide,1TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5223.6	Semi standard non polar	33892256
Pentigetide,1TMS,isomer #10	C[Si](C)(C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)C(=N)N	5238.0	Semi standard non polar	33892256
Pentigetide,1TMS,isomer #11	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5176.4	Semi standard non polar	33892256
Pentigetide,1TMS,isomer #2	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](N)CC(=O)O	5208.2	Semi standard non polar	33892256
Pentigetide,1TMS,isomer #3	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5228.8	Semi standard non polar	33892256
Pentigetide,1TMS,isomer #4	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5203.6	Semi standard non polar	33892256
Pentigetide,1TMS,isomer #5	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5212.0	Semi standard non polar	33892256
Pentigetide,1TMS,isomer #6	C[Si](C)(C)O/C(=N\[C@@H](CCCNC(=N)N)C(=O)O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5244.5	Semi standard non polar	33892256
Pentigetide,1TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5195.9	Semi standard non polar	33892256
Pentigetide,1TMS,isomer #8	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5322.3	Semi standard non polar	33892256
Pentigetide,1TMS,isomer #9	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5383.1	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #1	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5064.6	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #10	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	5029.7	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #11	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5111.8	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #12	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)[C@@H](N)CC(=O)O	5083.4	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #13	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5062.0	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #14	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)[C@@H](N)CC(=O)O	5098.5	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O	5057.8	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #16	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	5235.6	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #17	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5194.3	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #18	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[C@@H](N)CC(=O)O	5103.7	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #19	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	5027.6	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #2	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5111.7	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #20	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5088.9	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #21	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5094.8	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #22	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5115.7	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #23	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	5083.4	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #24	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5198.7	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #25	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5261.3	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #26	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	5120.9	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #27	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5060.4	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #28	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5062.6	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #29	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5086.0	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #3	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5068.3	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #30	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5047.5	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #31	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5239.9	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #32	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5181.6	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #33	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5084.6	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #34	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5021.0	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #35	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5077.7	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #36	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	5047.3	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #37	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5179.9	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #38	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5226.7	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #39	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	5090.4	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #4	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5079.1	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #40	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5016.2	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #41	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5067.0	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #42	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5257.8	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #43	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5206.3	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #44	C[Si](C)(C)O/C(=N\[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5123.7	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #45	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5042.4	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #46	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	5219.9	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #47	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	5171.4	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #48	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5075.1	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #49	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	5010.0	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #5	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5094.3	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #50	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5346.6	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #51	C[Si](C)(C)N([C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	5319.1	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #52	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	5205.3	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #53	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5134.2	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #54	C[Si](C)(C)N(C(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	5281.1	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #55	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	5196.3	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #56	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	5236.4	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #57	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	5073.1	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #6	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	5069.0	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #7	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5189.2	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #8	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	5239.4	Semi standard non polar	33892256
Pentigetide,2TMS,isomer #9	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	5108.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #1	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	4931.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #10	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4910.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #100	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5089.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #101	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5136.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #102	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4978.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #103	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4911.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #104	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	5063.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #105	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	5109.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #106	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4940.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #107	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4885.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #108	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5254.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #109	C[Si](C)(C)OC[C@H](/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5229.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #11	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	4944.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #110	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	5098.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #111	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5050.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #112	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5161.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #113	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	5100.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #114	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	5134.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #115	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4939.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #116	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4880.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #117	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4853.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #118	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5031.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #119	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5076.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #12	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4940.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #120	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4907.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #121	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4838.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #122	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	4867.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #123	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5098.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #124	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	5063.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #125	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	4932.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #126	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4867.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #127	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	5064.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #128	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	5019.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #129	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	4892.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #13	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4924.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #130	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4827.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #131	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5222.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #132	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5103.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #133	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	5059.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #134	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	5095.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #135	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5190.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #136	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	5054.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #137	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4995.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #138	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4892.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #139	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4854.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #14	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5083.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #140	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5040.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #141	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5080.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #142	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4921.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #143	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4845.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #144	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	5015.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #145	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	5058.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #146	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4892.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #147	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4826.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #148	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5207.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #149	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5180.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #15	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	5132.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #150	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	5050.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #151	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4989.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #152	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5103.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #153	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	5039.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #154	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	5088.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #155	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4894.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #156	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	5072.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #157	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	5033.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #158	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	4906.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #159	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4834.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #16	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4971.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #160	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5231.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #161	C[Si](C)(C)O/C(=N\[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5129.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #162	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	5075.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #163	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	5125.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #164	C[Si](C)(C)O/C(=N\[C@@H](CCCNC(=N)N)C(=O)O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5212.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #165	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	5090.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #166	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5013.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #167	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4917.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #168	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	5203.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #169	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5099.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #17	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4904.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #170	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	5041.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #171	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5082.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #172	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5178.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #173	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5042.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #174	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4987.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #175	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4883.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #176	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5260.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #177	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	5184.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #178	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5229.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #179	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5372.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #18	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	4884.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #180	C[Si](C)(C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N	5235.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #181	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5152.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #182	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5034.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #183	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5100.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #184	C[Si](C)(C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	5159.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #185	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	5046.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #19	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4897.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #2	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4876.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #20	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4862.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #21	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5035.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #22	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	5084.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #23	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4920.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #24	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4848.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #25	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4892.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #26	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4885.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #27	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5039.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #28	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	5086.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #29	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4932.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #3	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	4864.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #30	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4853.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #31	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4874.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #32	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5051.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #33	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	5095.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #34	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4939.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #35	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4863.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #36	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	5030.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #37	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5078.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #38	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4916.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #39	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4846.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #4	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4892.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #40	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	5218.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #41	C[Si](C)(C)OC(=O)C[C@@H](/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5189.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #42	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	5060.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #43	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	4998.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #44	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5124.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #45	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	5050.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #46	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5103.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #47	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4914.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #48	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4914.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #49	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	4932.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #5	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4854.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #50	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4974.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #51	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4924.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #52	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5101.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #53	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	5146.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #54	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4984.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #55	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4922.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #56	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	4882.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #57	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](N)CC(=O)O	4942.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #58	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O	4875.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #59	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	5104.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #6	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5042.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #60	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	5068.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #61	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)[C@@H](N)CC(=O)O	4942.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #62	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4867.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #63	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4895.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #64	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4851.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #65	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5037.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #66	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	5074.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #67	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4916.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #68	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4843.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #69	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O	4881.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #7	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	5079.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #70	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	5112.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #71	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	5069.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #72	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)[C@@H](N)CC(=O)O	4960.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #73	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4888.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #74	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	5073.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #75	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	5034.3	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #76	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O	4909.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #77	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4841.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #78	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5227.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #79	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@@H](N)CC(=O)O	5127.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #8	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4921.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #80	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	5072.4	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #81	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	5118.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #82	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5210.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #83	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	5072.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #84	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5011.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #85	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4913.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #86	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4900.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #87	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4923.7	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #88	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4886.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #89	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5069.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #9	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4848.0	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #90	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5117.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #91	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4944.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #92	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4879.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #93	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4924.6	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #94	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4905.5	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #95	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5071.9	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #96	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5114.2	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #97	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4954.8	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #98	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4889.1	Semi standard non polar	33892256
Pentigetide,3TMS,isomer #99	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4907.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #1	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4738.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #10	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	4747.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #100	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4729.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #101	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	5091.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #102	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5037.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #103	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4922.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #104	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	4846.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #105	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4984.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #106	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4911.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #107	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4963.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #108	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4787.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #109	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4873.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #11	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	4716.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #110	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4941.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #111	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4790.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #112	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4717.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #113	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	5090.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #114	C[Si](C)(C)OC(=O)C[C@@H](/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5035.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #115	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4935.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #116	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	4859.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #117	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4974.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #118	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4923.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #119	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4968.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #12	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4887.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #120	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4788.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #121	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	5081.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #122	C[Si](C)(C)OC(=O)C[C@@H](/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5029.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #123	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4918.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #124	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4842.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #125	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4982.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #126	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4910.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #127	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4954.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #128	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4788.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #129	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5114.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #13	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4937.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #130	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	5056.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #131	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5097.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #132	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5217.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #133	C[Si](C)(C)OC(=O)C[C@@H](/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5095.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #134	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4990.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #135	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4909.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #136	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5031.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #137	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4954.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #138	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4917.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #139	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4746.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #14	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4797.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #140	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4776.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #141	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4748.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #142	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4914.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #143	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4967.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #144	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4832.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #145	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4744.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #146	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4792.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #147	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4768.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #148	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4941.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #149	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4991.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #15	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4708.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #150	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4837.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #151	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4762.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #152	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4790.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #153	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4961.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #154	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	5011.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #155	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4863.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #156	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4789.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #157	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4932.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #158	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4988.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #159	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4835.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #16	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4723.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #160	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4766.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #161	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5145.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #162	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5105.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #163	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4981.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #164	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4920.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #165	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5027.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #166	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	4978.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #167	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	5020.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #168	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4835.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #169	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4750.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #17	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4723.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #170	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4721.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #171	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4884.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #172	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4939.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #173	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4803.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #174	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4711.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #175	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O	4755.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #176	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4961.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #177	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	4905.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #178	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](N)CC(=O)O	4832.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #179	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4740.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #18	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4875.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #180	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4937.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #181	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	4879.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #182	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O	4798.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #183	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4718.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #184	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5090.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #185	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)[C@@H](N)CC(=O)O	4980.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #186	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	4929.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #187	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4977.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #188	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5062.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #189	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4943.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #19	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4928.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #190	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4863.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #191	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4796.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #192	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4722.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #193	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4881.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #194	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4934.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #195	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4807.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #196	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	4724.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #197	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4861.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #198	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4919.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #199	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4781.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #2	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	4774.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #20	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4787.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #200	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4706.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #201	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5080.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #202	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5039.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #203	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4920.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #204	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4848.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #205	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4968.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #206	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	4904.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #207	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4950.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #208	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4778.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #209	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4937.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #21	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4704.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #210	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	4879.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #211	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O	4799.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #212	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4724.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #213	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5084.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #214	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)[C@@H](N)CC(=O)O	4978.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #215	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	4939.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #216	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4983.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #217	C[Si](C)(C)O/C(=N\[C@@H](CCCNC(=N)N)C(=O)O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5059.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #218	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4946.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #219	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4870.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #22	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	4721.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #220	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4800.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #221	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	5076.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #222	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O	4970.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #223	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4911.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #224	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4951.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #225	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5043.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #226	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4921.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #227	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4850.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #228	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4777.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #229	C[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	5106.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #23	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4889.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #230	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	5061.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #231	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5100.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #232	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5237.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #233	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@@H](N)CC(=O)O	5024.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #234	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4964.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #235	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4930.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #236	C[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5112.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #237	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5014.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #238	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4911.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #239	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4744.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #24	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4939.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #240	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4735.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #241	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4905.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #242	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4964.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #243	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4805.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #244	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4724.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #245	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	4745.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #246	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4918.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #247	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4967.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #248	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4824.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #249	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4745.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #25	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4806.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #250	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4891.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #251	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4954.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #252	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4799.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #253	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4728.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #254	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5115.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #255	C[Si](C)(C)OC[C@H](/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5067.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #256	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4943.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #257	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4874.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #258	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4982.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #259	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	4940.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #26	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4723.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #260	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4973.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #261	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4796.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #262	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4756.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #263	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4928.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #264	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4982.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #265	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4826.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #266	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4748.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #267	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4914.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #268	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4972.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #269	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4815.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #27	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4868.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #270	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4743.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #271	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5125.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #272	C[Si](C)(C)OC[C@H](/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5086.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #273	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4958.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #274	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4891.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #275	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5012.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #276	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	4948.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #277	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4990.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #278	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4815.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #279	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4914.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #28	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4926.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #280	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4973.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #281	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4814.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #282	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4744.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #283	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5135.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #284	C[Si](C)(C)OC[C@H](/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5092.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #285	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4973.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #286	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4902.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #287	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	5003.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #288	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	4962.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #289	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4999.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #29	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4786.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #290	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4814.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #291	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	5117.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #292	C[Si](C)(C)OC[C@H](/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	5081.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #293	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4953.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #294	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4888.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #295	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5011.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #296	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4950.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #297	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4984.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #298	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4809.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #299	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5154.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #3	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4786.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #30	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4711.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #300	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	5103.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #301	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5137.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #302	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5277.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #303	C[Si](C)(C)OC[C@H](/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	5142.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #304	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5051.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #305	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4946.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #306	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5061.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #307	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4995.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #308	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4951.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #309	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4712.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #31	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	5087.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #310	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4873.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #311	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4930.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #312	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4792.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #313	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	4707.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #314	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4854.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #315	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4919.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #316	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4777.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #317	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4696.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #318	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5078.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #319	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5029.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #32	C[Si](C)(C)OC(=O)C[C@@H](/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5038.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #320	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4912.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #321	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4838.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #322	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4956.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #323	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	4900.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #324	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4943.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #325	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4768.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #326	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4926.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #327	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	4870.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #328	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	4782.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #329	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4707.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #33	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4931.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #330	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5077.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #331	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	4957.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #332	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	4925.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #333	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4958.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #334	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5046.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #335	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4933.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #336	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4859.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #337	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4781.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #338	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	5068.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #339	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	4951.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #34	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	4857.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #340	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4901.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #341	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4934.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #342	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5025.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #343	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4905.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #344	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4834.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #345	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4761.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #346	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	5092.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #347	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	5052.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #348	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5086.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #349	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5223.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #35	C[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4972.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #350	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5007.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #351	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4940.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #352	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4905.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #353	C[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5094.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #354	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4989.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #355	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4897.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #356	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4863.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #357	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4921.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #358	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4775.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #359	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C	4697.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #36	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4909.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #360	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	5079.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #361	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	5037.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #362	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4923.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #363	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O	4844.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #364	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4956.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #365	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C	4903.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #366	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4948.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #367	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4772.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #368	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	5070.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #369	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	5032.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #37	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4958.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #370	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4906.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #371	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4831.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #372	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4962.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #373	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4891.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #374	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4932.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #375	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4768.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #376	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5100.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #377	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	5048.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #378	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5086.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #379	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5219.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #38	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4782.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #380	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	5097.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #381	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4991.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #382	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4895.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #383	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5010.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #384	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4935.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #385	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4896.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #386	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	5073.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #387	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	4950.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #388	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4903.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #389	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4941.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #39	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4762.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #390	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5038.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #391	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4924.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #392	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4841.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #393	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4759.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #394	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	5107.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #395	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	5064.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #396	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5107.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #397	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5243.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #398	C[Si](C)(C)O/C(=N\[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5019.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #399	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4947.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #4	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4767.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #40	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4764.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #400	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C	4919.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #401	C[Si](C)(C)O/C(=N\[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5118.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #402	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5008.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #403	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4908.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #404	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5095.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #405	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	5048.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #406	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	5080.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #407	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	5218.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #408	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5006.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #409	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4939.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #41	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4750.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #410	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4895.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #411	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5095.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #412	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4994.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #413	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4893.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #414	C[Si](C)(C)N(C(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5281.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #415	C[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	5128.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #416	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	5086.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #417	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5045.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #418	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	5182.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #419	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5257.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #42	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4911.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #420	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5067.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #421	C[Si](C)(C)N=C(N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4957.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #43	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4977.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #44	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4818.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #45	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4737.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #46	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4786.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #47	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4799.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #48	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	4941.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #49	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	5006.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #5	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4942.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #50	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4842.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #51	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4768.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #52	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4774.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #53	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4939.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #54	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	5002.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #55	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4840.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #56	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4767.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #57	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4924.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #58	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4993.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #59	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4833.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #6	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4993.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #60	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4764.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #61	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	5133.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #62	C[Si](C)(C)OC[C@H](/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5081.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #63	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4967.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #64	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	4901.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #65	C[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	5029.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #66	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4962.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #67	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	5007.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #68	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4833.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #69	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4734.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #7	C[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4837.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #70	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4732.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #71	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4876.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #72	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4948.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #73	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4796.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #74	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4710.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #75	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	4729.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #76	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4886.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #77	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4949.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #78	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C)O[Si](C)(C)C	4802.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #79	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4724.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #8	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4761.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #80	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4861.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #81	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4934.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #82	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4786.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #83	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4710.2	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #84	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	5083.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #85	C[Si](C)(C)OC(=O)C[C@@H](/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5020.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #86	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4917.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #87	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@H](CC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O	4846.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #88	C[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4967.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #89	C[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4912.3	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #9	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O[Si](C)(C)C)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	4719.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #90	C[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4956.1	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #91	C[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4778.9	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #92	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4740.5	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #93	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	4886.0	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #94	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4951.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #95	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4802.8	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #96	C[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O	4716.6	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #97	C[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	4883.4	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #98	C[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4948.7	Semi standard non polar	33892256
Pentigetide,4TMS,isomer #99	C[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4811.9	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5368.7	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)C(=N)N	5358.8	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5272.5	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)[C@@H](N)CC(=O)O	5326.3	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5361.4	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5325.9	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5355.1	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O/C(=N\[C@@H](CCCNC(=N)N)C(=O)O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5353.4	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5346.4	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5429.5	Semi standard non polar	33892256
Pentigetide,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5477.5	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](N)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	5331.3	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5297.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H](/N=C(\O[Si](C)(C)C(C)(C)C)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5362.6	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O/C(=N\[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H](N)CC(=O)O	5315.0	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C(C)(C)C)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5330.3	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C)[C@@H](N)CC(=O)O	5323.5	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C(C)(C)C)[C@@H](N)CC(=O)O	5325.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C(C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	5489.6	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)/C(=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	5429.6	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O/C(=N\[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](N)CC(=O)O	5342.9	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O[Si](C)(C)C(C)(C)C)[C@@H](N)CC(=O)O)C(=O)O	5261.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C(C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5390.0	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	5342.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5372.4	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	5368.2	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	5366.4	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO[Si](C)(C)C(C)(C)C)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5462.4	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C(C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5518.9	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC[C@H](/N=C(\O)[C@@H](N)CC(=O)O)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	5384.0	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO[Si](C)(C)C(C)(C)C)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5309.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](/N=C(\O[Si](C)(C)C(C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5333.8	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5322.5	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	5344.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C(C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5324.3	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C(C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5489.2	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	5433.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O/C(=N\[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5339.7	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O[Si](C)(C)C(C)(C)C)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5259.8	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	5346.6	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	5347.0	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5447.9	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5498.8	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	5361.6	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5377.8	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O[Si](C)(C)C(C)(C)C)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5281.9	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)/N=C(\O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5340.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5509.9	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	5459.2	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)O/C(=N\[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5361.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O[Si](C)(C)C(C)(C)C)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O	5284.0	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #46	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5494.9	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #47	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	5439.9	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O	5353.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #49	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C	5274.4	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(=N/[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	5363.8	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #50	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O	5584.2	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #51	CC(C)(C)[Si](C)(C)N([C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	5513.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #52	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	5466.5	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #53	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@H](CC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O	5384.9	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #54	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5479.5	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #55	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)N[Si](C)(C)C(C)(C)C	5447.5	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #56	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5499.8	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #57	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C	5328.1	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	5366.6	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCNC(=N)N)C(=O)O	5460.5	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](/N=C(\O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)/N=C(\O)[C@H](CO)/N=C(\O)[C@@H](N)CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O	5517.9	Semi standard non polar	33892256
Pentigetide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C[C@H](N)/C(O)=N/[C@@H](CO)/C(O)=N/[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1/C(O)=N/[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	5374.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (Non-derivatized) - 70eV, Positive	splash10-000f-9544130000-dc51789bd07ed5066e98	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (1 TMS) - 70eV, Positive	splash10-0cdi-9434512000-cf10cc4cd8ee8c582c47	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS ("Pentigetide,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pentigetide GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	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 - Pentigetide 10V, Positive-QTOF	splash10-00dr-2302190000-a97ebaf50fbc7afbb016	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 20V, Positive-QTOF	splash10-00g0-9813030000-709ab892c92f3e6ad823	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 40V, Positive-QTOF	splash10-022l-9200000000-ff146ec9c5892f08b3f2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 10V, Negative-QTOF	splash10-0ap4-0000090000-84709174e598ed7355fd	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 20V, Negative-QTOF	splash10-0ar0-3110190000-5466d2339e89fb4ba34d	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 40V, Negative-QTOF	splash10-052f-9321000000-188991ed25a298cdf99f	2016-08-04	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 10V, Negative-QTOF	splash10-000i-0013190000-1a178879f0c4a71b32f6	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 20V, Negative-QTOF	splash10-002r-8945640000-e110abe60b6a7306f333	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 40V, Negative-QTOF	splash10-0006-9210000000-95fc4865a11117f33cbf	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 10V, Positive-QTOF	splash10-05g0-0012960000-8e3b70813eba542f325f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 20V, Positive-QTOF	splash10-00di-9212630000-9ce81101e01aa50d4ddd	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pentigetide 40V, Positive-QTOF	splash10-00dl-9322000000-3dd50275c631b3065fc0	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB017464

KNApSAcK ID

Not Available

Chemspider ID

143058

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162960

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Pentigetide (HMDB0038221)

MOL for HMDB0038221 (Pentigetide)

3D MOL for HMDB0038221 (Pentigetide)

3D SDF for HMDB0038221 (Pentigetide)

3D-SDF for HMDB0038221 (Pentigetide)

PDB for HMDB0038221 (Pentigetide)

3D PDB for HMDB0038221 (Pentigetide)

SMILES for HMDB0038221 (Pentigetide)

INCHI for HMDB0038221 (Pentigetide)

Structure for HMDB0038221 (Pentigetide)

3D Structure for HMDB0038221 (Pentigetide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra