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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 23:39:36 UTC

Update Date

2021-09-26 23:18:04 UTC

HMDB ID

HMDB0260128

Secondary Accession Numbers

None

Metabolite Identification

Common Name

(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid

Description

2-acetyl-1-(2-{N-acetyl-2-[(2-amino-1,3-dihydroxypropylidene)amino]-3-carboxypropanamido}-6-aminohexanoyl)pyrrolidine-2-carboxylic acid belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Based on a literature review very few articles have been published on 2-acetyl-1-(2-{N-acetyl-2-[(2-amino-1,3-dihydroxypropylidene)amino]-3-carboxypropanamido}-6-aminohexanoyl)pyrrolidine-2-carboxylic acid. This compound has been identified in human blood as reported by (PMID: 31557052 ). (2r)-2-acetyl-1-[(2s)-2-[acetyl-[(2s)-2-[[(2s)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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


  Mrv1652309122101392D          

 37 37  0  0  0  0            999 V2000
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  4 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END

HMDB0260128
     RDKit          3D
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]ami...
 72 72  0  0  0  0  0  0  0  0999 V2000
    1.1791   -2.0122    2.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 43  1  0
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 37 72  1  0
M  END


  Mrv1652309122101392D          

 37 37  0  0  0  0            999 V2000
    1.8822   -0.3920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1251   -0.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8405    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
  4 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0260128

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(=O)N(C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(O)=O)C(=O)C(CC(O)=O)NC(=O)C(N)CO

> <INCHI_IDENTIFIER>
InChI=1S/C22H35N5O10/c1-12(29)22(21(36)37)7-5-9-26(22)20(35)16(6-3-4-8-23)27(13(2)30)19(34)15(10-17(31)32)25-18(33)14(24)11-28/h14-16,28H,3-11,23-24H2,1-2H3,(H,25,33)(H,31,32)(H,36,37)

> <INCHI_KEY>
WBANUFIDNOUEIC-UHFFFAOYSA-N

> <FORMULA>
C22H35N5O10

> <MOLECULAR_WEIGHT>
529.547

> <EXACT_MASS>
529.238392347

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
51.97850404917657

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-acetyl-1-{2-[N-acetyl-2-(2-amino-3-hydroxypropanamido)-3-carboxypropanamido]-6-aminohexanoyl}pyrrolidine-2-carboxylic acid

> <ALOGPS_LOGP>
-2.63

> <JCHEM_LOGP>
-8.085861521413912

> <ALOGPS_LOGS>
-3.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.7506130090562726

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.055137916968774

> <JCHEM_PKA_STRONGEST_BASIC>
10.003652636799197

> <JCHEM_POLAR_SURFACE_AREA>
250.72999999999996

> <JCHEM_REFRACTIVITY>
124.28639999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.24e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-acetyl-1-{2-[N-acetyl-2-(2-amino-3-hydroxypropanamido)-3-carboxypropanamido]-6-aminohexanoyl}pyrrolidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0260128
     RDKit          3D
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]ami...
 72 72  0  0  0  0  0  0  0  0999 V2000
    1.1791   -2.0122    2.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957   -1.3462    2.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0214   -1.4797    2.5279 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547   -0.6159    0.9023 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5845   -0.4568    0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5423    0.3763   -0.7664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8736   -1.0908    0.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8163   -2.4975   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -2.2298   -1.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   -1.9352   -2.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938   -2.3026   -2.4493 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9260   -0.4443   -0.2979 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1336   -0.0864    0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3184   -0.3144    1.5225 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2626    0.5605   -0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9953    0.8751   -1.7832 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7678    1.7814    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0481    1.5362    1.6422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8012    0.0723    0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2245    1.2920    0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6825    1.2477    2.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1105    2.6635    2.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251    3.5634    2.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164    4.9056    3.1978 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8183   -0.8619   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667   -2.0664    0.1982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9183   -0.5463   -1.0689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1284    0.8264   -1.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8218    0.6446   -2.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9223   -0.8403   -3.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9777   -1.2918   -1.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9801   -2.7422   -1.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1808   -3.4362   -2.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589   -3.4652   -1.0929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3257   -0.7991   -1.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3977    0.0667   -0.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5188   -1.2830   -1.6590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251   -1.1868    3.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283   -2.7505    2.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6881   -2.4218    3.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2114   -1.1249    1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7062   -3.0764    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749   -2.9764    0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830   -1.8276   -3.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7432   -0.2741   -1.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0893   -0.2113   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6683    0.4244   -2.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    1.8767   -1.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6307    2.2100   -0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9553    2.5502    0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    2.2333    1.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3545    0.5056   -0.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9128    1.9001    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2419    1.9317    1.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200    1.0409    3.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573    0.6371    2.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4235    2.5660    3.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382    3.0239    2.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0937    3.2397    3.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5817    3.7094    1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110    5.1024    3.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794    5.6007    2.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7159    1.4389   -0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550    1.3012   -1.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3076    1.1629   -3.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8506    1.1010   -2.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8542   -1.1052   -3.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130   -1.2380   -3.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9062   -4.4920   -2.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5851   -2.8981   -3.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9460   -3.5207   -1.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2378   -0.7196   -2.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  7 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  4 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 19 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 31 35  1  0
 35 36  2  0
 35 37  1  0
 31 27  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  7 41  1  0
  8 42  1  0
  8 43  1  0
 11 44  1  0
 12 45  1  0
 15 46  1  0
 16 47  1  0
 16 48  1  0
 17 49  1  0
 17 50  1  0
 18 51  1  0
 19 52  1  0
 20 53  1  0
 20 54  1  0
 21 55  1  0
 21 56  1  0
 22 57  1  0
 22 58  1  0
 23 59  1  0
 23 60  1  0
 24 61  1  0
 24 62  1  0
 28 63  1  0
 28 64  1  0
 29 65  1  0
 29 66  1  0
 30 67  1  0
 30 68  1  0
 33 69  1  0
 33 70  1  0
 33 71  1  0
 37 72  1  0
M  END

HEADER    PROTEIN                                 12-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   12-SEP-21         0                                  
HETATM    1  C   UNK     0       3.513  -0.732   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.100  -1.344   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.924  -2.873   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.864  -0.426   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.537   0.215   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.360   1.745   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.149   2.050   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       1.906   0.708   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       3.436   0.531   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.048  -0.882   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       4.354   1.768   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.742   3.181   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.212   3.358   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.600   4.771   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.070   4.948   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      -0.542   6.361   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0       5.883   1.591   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       6.495   0.178   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       8.025   0.001   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       5.577  -1.058   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.801   2.828   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.189   4.241   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       8.331   2.651   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       8.943   1.238   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.473   1.061   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      11.391   2.298   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      11.085  -0.352   0.000  0.00  0.00           O+0
HETATM   28  N   UNK     0       9.249   3.888   0.000  0.00  0.00           N+0
HETATM   29  C   UNK     0      10.779   3.711   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      12.105   2.928   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      11.697   4.948   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      13.227   4.771   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      14.144   6.008   0.000  0.00  0.00           O+0
HETATM   34  N   UNK     0      11.085   6.361   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0       0.080  -1.751   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -1.460  -1.736   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       0.836  -3.093   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    8   35                                             
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    4    9                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15                                                            
CONECT   17   11   18   21                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   17   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   28                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   23   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   34                                                  
CONECT   32   31   33                                                       
CONECT   33   32                                                            
CONECT   34   31                                                            
CONECT   35    4   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   74    0
END

COMPND    HMDB0260128
HETATM    1  C1  UNL     1       1.179  -2.012   2.941  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.196  -1.346   2.078  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.021  -1.480   2.528  1.00  0.00           O  
HETATM    4  N1  UNL     1       0.355  -0.616   0.902  1.00  0.00           N  
HETATM    5  C3  UNL     1       1.585  -0.457   0.248  1.00  0.00           C  
HETATM    6  O2  UNL     1       1.542   0.376  -0.766  1.00  0.00           O  
HETATM    7  C4  UNL     1       2.874  -1.091   0.547  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.816  -2.498  -0.119  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.634  -2.230  -1.571  1.00  0.00           C  
HETATM   10  O3  UNL     1       1.504  -1.935  -2.001  1.00  0.00           O  
HETATM   11  O4  UNL     1       3.694  -2.303  -2.449  1.00  0.00           O  
HETATM   12  N2  UNL     1       3.926  -0.444  -0.298  1.00  0.00           N  
HETATM   13  C7  UNL     1       5.134  -0.086   0.293  1.00  0.00           C  
HETATM   14  O5  UNL     1       5.318  -0.314   1.522  1.00  0.00           O  
HETATM   15  C8  UNL     1       6.263   0.561  -0.415  1.00  0.00           C  
HETATM   16  N3  UNL     1       5.995   0.875  -1.783  1.00  0.00           N  
HETATM   17  C9  UNL     1       6.768   1.781   0.297  1.00  0.00           C  
HETATM   18  O6  UNL     1       7.048   1.536   1.642  1.00  0.00           O  
HETATM   19  C10 UNL     1      -0.801   0.072   0.279  1.00  0.00           C  
HETATM   20  C11 UNL     1      -1.225   1.292   0.996  1.00  0.00           C  
HETATM   21  C12 UNL     1      -1.683   1.248   2.392  1.00  0.00           C  
HETATM   22  C13 UNL     1      -2.110   2.663   2.846  1.00  0.00           C  
HETATM   23  C14 UNL     1      -0.925   3.563   2.734  1.00  0.00           C  
HETATM   24  N4  UNL     1      -1.316   4.906   3.198  1.00  0.00           N  
HETATM   25  C15 UNL     1      -1.818  -0.862  -0.208  1.00  0.00           C  
HETATM   26  O7  UNL     1      -1.667  -2.066   0.198  1.00  0.00           O  
HETATM   27  N5  UNL     1      -2.918  -0.546  -1.069  1.00  0.00           N  
HETATM   28  C16 UNL     1      -3.128   0.826  -1.570  1.00  0.00           C  
HETATM   29  C17 UNL     1      -3.822   0.645  -2.902  1.00  0.00           C  
HETATM   30  C18 UNL     1      -3.922  -0.840  -3.116  1.00  0.00           C  
HETATM   31  C19 UNL     1      -3.978  -1.292  -1.631  1.00  0.00           C  
HETATM   32  C20 UNL     1      -3.980  -2.742  -1.563  1.00  0.00           C  
HETATM   33  C21 UNL     1      -5.181  -3.436  -2.166  1.00  0.00           C  
HETATM   34  O8  UNL     1      -3.159  -3.465  -1.093  1.00  0.00           O  
HETATM   35  C22 UNL     1      -5.326  -0.799  -1.147  1.00  0.00           C  
HETATM   36  O9  UNL     1      -5.398   0.067  -0.264  1.00  0.00           O  
HETATM   37  O10 UNL     1      -6.519  -1.283  -1.659  1.00  0.00           O  
HETATM   38  H1  UNL     1       1.825  -1.187   3.373  1.00  0.00           H  
HETATM   39  H2  UNL     1       1.828  -2.751   2.504  1.00  0.00           H  
HETATM   40  H3  UNL     1       0.688  -2.422   3.881  1.00  0.00           H  
HETATM   41  H4  UNL     1       3.211  -1.125   1.564  1.00  0.00           H  
HETATM   42  H5  UNL     1       3.706  -3.076   0.119  1.00  0.00           H  
HETATM   43  H6  UNL     1       1.875  -2.976   0.224  1.00  0.00           H  
HETATM   44  H7  UNL     1       3.783  -1.828  -3.317  1.00  0.00           H  
HETATM   45  H8  UNL     1       3.743  -0.274  -1.296  1.00  0.00           H  
HETATM   46  H9  UNL     1       7.089  -0.211  -0.406  1.00  0.00           H  
HETATM   47  H10 UNL     1       6.668   0.424  -2.460  1.00  0.00           H  
HETATM   48  H11 UNL     1       5.849   1.877  -1.980  1.00  0.00           H  
HETATM   49  H12 UNL     1       7.631   2.210  -0.223  1.00  0.00           H  
HETATM   50  H13 UNL     1       5.955   2.550   0.289  1.00  0.00           H  
HETATM   51  H14 UNL     1       7.701   2.233   1.936  1.00  0.00           H  
HETATM   52  H15 UNL     1      -0.355   0.506  -0.705  1.00  0.00           H  
HETATM   53  H16 UNL     1      -1.913   1.900   0.417  1.00  0.00           H  
HETATM   54  H17 UNL     1      -0.242   1.932   1.004  1.00  0.00           H  
HETATM   55  H18 UNL     1      -0.820   1.041   3.087  1.00  0.00           H  
HETATM   56  H19 UNL     1      -2.557   0.637   2.613  1.00  0.00           H  
HETATM   57  H20 UNL     1      -2.423   2.566   3.891  1.00  0.00           H  
HETATM   58  H21 UNL     1      -2.938   3.024   2.191  1.00  0.00           H  
HETATM   59  H22 UNL     1      -0.094   3.240   3.376  1.00  0.00           H  
HETATM   60  H23 UNL     1      -0.582   3.709   1.683  1.00  0.00           H  
HETATM   61  H24 UNL     1      -2.311   5.102   3.022  1.00  0.00           H  
HETATM   62  H25 UNL     1      -0.679   5.601   2.749  1.00  0.00           H  
HETATM   63  H26 UNL     1      -3.716   1.439  -0.894  1.00  0.00           H  
HETATM   64  H27 UNL     1      -2.155   1.301  -1.811  1.00  0.00           H  
HETATM   65  H28 UNL     1      -3.308   1.163  -3.738  1.00  0.00           H  
HETATM   66  H29 UNL     1      -4.851   1.101  -2.823  1.00  0.00           H  
HETATM   67  H30 UNL     1      -4.854  -1.105  -3.640  1.00  0.00           H  
HETATM   68  H31 UNL     1      -3.013  -1.238  -3.599  1.00  0.00           H  
HETATM   69  H32 UNL     1      -4.906  -4.492  -2.413  1.00  0.00           H  
HETATM   70  H33 UNL     1      -5.585  -2.898  -3.033  1.00  0.00           H  
HETATM   71  H34 UNL     1      -5.946  -3.521  -1.369  1.00  0.00           H  
HETATM   72  H35 UNL     1      -7.238  -0.720  -2.066  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3    3    4
CONECT    4    5   19
CONECT    5    6    6    7
CONECT    7    8   12   41
CONECT    8    9   42   43
CONECT    9   10   10   11
CONECT   11   44
CONECT   12   13   45
CONECT   13   14   14   15
CONECT   15   16   17   46
CONECT   16   47   48
CONECT   17   18   49   50
CONECT   18   51
CONECT   19   20   25   52
CONECT   20   21   53   54
CONECT   21   22   55   56
CONECT   22   23   57   58
CONECT   23   24   59   60
CONECT   24   61   62
CONECT   25   26   26   27
CONECT   27   28   31
CONECT   28   29   63   64
CONECT   29   30   65   66
CONECT   30   31   67   68
CONECT   31   32   35
CONECT   32   33   34   34
CONECT   33   69   70   71
CONECT   35   36   36   37
CONECT   37   72
END

HMDB0260128
     RDKit          3D
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]ami...
 72 72  0  0  0  0  0  0  0  0999 V2000
    1.1791   -2.0122    2.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1957   -1.3462    2.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0214   -1.4797    2.5279 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3547   -0.6159    0.9023 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5845   -0.4568    0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5423    0.3763   -0.7664 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8736   -1.0908    0.5470 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8163   -2.4975   -0.1187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -2.2298   -1.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   -1.9352   -2.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6938   -2.3026   -2.4493 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9260   -0.4443   -0.2979 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1336   -0.0864    0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3184   -0.3144    1.5225 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2626    0.5605   -0.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9953    0.8751   -1.7832 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7678    1.7814    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0481    1.5362    1.6422 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8012    0.0723    0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2245    1.2920    0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6825    1.2477    2.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1105    2.6635    2.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9251    3.5634    2.7341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3164    4.9056    3.1978 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8183   -0.8619   -0.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6667   -2.0664    0.1982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9183   -0.5463   -1.0689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1284    0.8264   -1.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8218    0.6446   -2.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9223   -0.8403   -3.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9777   -1.2918   -1.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9801   -2.7422   -1.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1808   -3.4362   -2.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1589   -3.4652   -1.0929 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3257   -0.7991   -1.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3977    0.0667   -0.2643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5188   -1.2830   -1.6590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251   -1.1868    3.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8283   -2.7505    2.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6881   -2.4218    3.8806 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2114   -1.1249    1.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7062   -3.0764    0.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749   -2.9764    0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7830   -1.8276   -3.3172 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7432   -0.2741   -1.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0893   -0.2113   -0.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6683    0.4244   -2.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8488    1.8767   -1.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6307    2.2100   -0.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9553    2.5502    0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    2.2333    1.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3545    0.5056   -0.7050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9128    1.9001    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2419    1.9317    1.0043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8200    1.0409    3.0868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573    0.6371    2.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4235    2.5660    3.8911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382    3.0239    2.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0937    3.2397    3.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5817    3.7094    1.6830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110    5.1024    3.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6794    5.6007    2.7490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7159    1.4389   -0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1550    1.3012   -1.8112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3076    1.1629   -3.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8506    1.1010   -2.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8542   -1.1052   -3.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0130   -1.2380   -3.5985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9062   -4.4920   -2.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5851   -2.8981   -3.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9460   -3.5207   -1.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2378   -0.7196   -2.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  7 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  4 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 19 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 31 35  1  0
 35 36  2  0
 35 37  1  0
 31 27  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  7 41  1  0
  8 42  1  0
  8 43  1  0
 11 44  1  0
 12 45  1  0
 15 46  1  0
 16 47  1  0
 16 48  1  0
 17 49  1  0
 17 50  1  0
 18 51  1  0
 19 52  1  0
 20 53  1  0
 20 54  1  0
 21 55  1  0
 21 56  1  0
 22 57  1  0
 22 58  1  0
 23 59  1  0
 23 60  1  0
 24 61  1  0
 24 62  1  0
 28 63  1  0
 28 64  1  0
 29 65  1  0
 29 66  1  0
 30 67  1  0
 30 68  1  0
 33 69  1  0
 33 70  1  0
 33 71  1  0
 37 72  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Acetyl-1-(2-{n-acetyl-2-[(2-amino-1,3-dihydroxypropylidene)amino]-3-carboxypropanamido}-6-aminohexanoyl)pyrrolidine-2-carboxylate	Generator
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylate	Generator

Chemical Formula

C₂₂H₃₅N₅O₁₀

Average Molecular Weight

529.547

Monoisotopic Molecular Weight

529.238392347

IUPAC Name

2-acetyl-1-{2-[N-acetyl-2-(2-amino-3-hydroxypropanamido)-3-carboxypropanamido]-6-aminohexanoyl}pyrrolidine-2-carboxylic acid

Traditional Name

2-acetyl-1-{2-[N-acetyl-2-(2-amino-3-hydroxypropanamido)-3-carboxypropanamido]-6-aminohexanoyl}pyrrolidine-2-carboxylic acid

CAS Registry Number

Not Available

SMILES

CC(=O)N(C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(O)=O)C(=O)C(CC(O)=O)NC(=O)C(N)CO

InChI Identifier

InChI=1S/C22H35N5O10/c1-12(29)22(21(36)37)7-5-9-26(22)20(35)16(6-3-4-8-23)27(13(2)30)19(34)15(10-17(31)32)25-18(33)14(24)11-28/h14-16,28H,3-11,23-24H2,1-2H3,(H,25,33)(H,31,32)(H,36,37)

InChI Key

WBANUFIDNOUEIC-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Peptidomimetics

Sub Class

Hybrid peptides

Direct Parent

Hybrid peptides

Alternative Parents

Substituents

Hybrid peptide
Aspartic acid or derivatives
N-acyl-alpha amino acid or derivatives
N-acyl-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine carboxylic acid
N-acylpyrrolidine
Short-chain keto acid
Hydroxy fatty acid
Heterocyclic fatty acid
Beta-keto acid
Fatty acyl
Carboxylic acid imide, n-substituted
N-acyl-amine
Keto acid
Dicarboxylic acid or derivatives
Beta-hydroxy ketone
Acetamide
Tertiary carboxylic acid amide
Pyrrolidine
Dicarboximide
Carboxylic acid imide
Amino acid
Ketone
Carboxamide group
Amino acid or derivatives
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboxylic acid
Carboxylic acid derivative
Carboximidic acid derivative
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Primary alcohol
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-2.6	ALOGPS
logP	-8.1	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	3.06	ChemAxon
pKa (Strongest Basic)	10	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	250.73 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	124.29 m³·mol⁻¹	ChemAxon
Polarizability	51.98 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
AllCCS	[M+H]+	216.176	32859911
AllCCS	[M+H-H2O]+	214.861	32859911
AllCCS	[M+Na]+	217.696	32859911
AllCCS	[M+NH4]+	217.361	32859911
AllCCS	[M-H]-	218.643	32859911
AllCCS	[M+Na-2H]-	219.291	32859911
AllCCS	[M+HCOO]-	220.159	32859911
DeepCCS	[M+H]+	213.509	30932474
DeepCCS	[M-H]-	211.113	30932474
DeepCCS	[M-2H]-	243.996	30932474
DeepCCS	[M+Na]+	219.756	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid	CC(=O)N(C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(O)=O)C(=O)C(CC(O)=O)NC(=O)C(N)CO	4576.1	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid	CC(=O)N(C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(O)=O)C(=O)C(CC(O)=O)NC(=O)C(N)CO	3447.3	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid	CC(=O)N(C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(O)=O)C(=O)C(CC(O)=O)NC(=O)C(N)CO	4094.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #1	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	3745.8	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #1	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	3580.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #1	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	7023.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #10	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3871.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #10	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3869.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #10	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6197.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #11	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3799.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #11	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3842.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #11	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6275.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #12	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3968.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #12	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3873.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #12	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6461.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #13	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C	3879.6	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #13	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C	3697.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #13	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C	6499.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #14	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3815.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #14	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3669.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #14	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	6344.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #15	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3816.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #15	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3605.3	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #15	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	6825.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #16	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3906.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #16	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3872.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #16	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5616.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #17	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3811.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #17	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3797.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #17	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6123.9	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #18	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3922.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #18	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3845.3	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #18	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6216.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #19	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3853.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #19	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3806.4	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #19	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6141.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #2	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3772.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #2	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3754.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #2	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6220.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #20	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4015.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #20	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3856.4	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #20	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6411.9	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #21	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C	3949.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #21	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C	3803.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #21	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C	5825.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #22	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO	4041.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #22	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO	3767.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #22	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO	6604.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #23	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C	3885.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #23	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C	3735.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #23	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C	6412.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #24	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3874.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #24	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3709.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #24	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	6269.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #25	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	3947.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #25	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	3779.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #25	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	6337.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #26	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3915.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #26	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3917.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #26	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5573.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #27	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4022.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #27	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3972.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #27	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5636.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #28	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4074.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #28	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3913.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #28	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5718.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #29	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3921.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #29	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3895.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #29	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6124.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #3	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3830.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #3	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3792.4	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #3	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6385.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #30	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4004.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #30	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3903.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #30	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6335.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #31	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	3879.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #31	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	3753.3	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #31	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	6553.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #32	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3827.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #32	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3722.4	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #32	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	6401.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #33	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3816.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #33	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3662.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #33	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	6861.9	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #34	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3904.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #34	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3934.2	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #34	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5714.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #35	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	3812.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #35	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	3863.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #35	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	6216.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #36	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	3920.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #36	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	3909.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #36	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	6311.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #37	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3850.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #37	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3873.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #37	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	6231.9	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #38	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4018.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #38	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3921.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #38	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	6503.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #39	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	3950.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #39	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	3857.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #39	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	5887.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #4	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3740.6	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #4	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3704.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #4	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6751.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #40	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO	4047.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #40	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO	3825.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #40	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO	6656.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #41	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	3886.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #41	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	3799.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #41	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	6464.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #42	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3870.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #42	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3769.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #42	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	6325.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #43	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	3943.6	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #43	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	3834.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #43	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	6394.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #44	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3917.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #44	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3977.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #44	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5678.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #45	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4027.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #45	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4036.2	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #45	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5740.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #46	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4085.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #46	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3978.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #46	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5822.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #47	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	3918.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #47	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	3957.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #47	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	6216.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #48	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4010.8	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #48	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3967.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #48	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	6425.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #49	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3971.8	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #49	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3848.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #49	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	5911.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #5	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO	3817.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #5	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO	3713.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #5	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO	6543.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #50	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C	4096.6	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #50	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C	3810.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #50	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C	6602.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #51	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3931.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #51	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3766.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #51	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	6333.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #52	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3891.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #52	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3758.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #52	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	6315.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #53	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3986.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #53	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3809.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #53	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6414.9	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #54	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3940.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #54	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3976.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #54	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5678.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #55	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4069.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #55	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4014.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #55	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5778.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #56	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4100.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #56	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3968.2	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #56	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5841.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #57	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	3988.6	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #57	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	3932.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #57	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	6224.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #58	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4055.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #58	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3926.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #58	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	6294.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #59	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C	4159.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #59	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C	3886.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #59	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C	6011.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #6	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	3799.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #6	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	3675.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #6	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	6342.1	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #60	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3992.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #60	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3889.2	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #60	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	5864.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #61	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	4088.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #61	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	3950.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #61	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	5930.1	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #62	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C	4093.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #62	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C	3855.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #62	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C	6537.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #63	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3994.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #63	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3854.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #63	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6327.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #64	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4053.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #64	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4054.1	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #64	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5728.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #65	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4114.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #65	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4010.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #65	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5808.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #66	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4241.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #66	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4072.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #66	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5865.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #7	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	3751.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #7	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	3629.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #7	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	6934.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #8	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3895.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #8	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3880.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #8	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5590.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #9	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3782.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #9	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3804.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,4TMS,isomer #9	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6135.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #1	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	3820.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #1	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	3723.4	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #1	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	6213.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #10	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO	3971.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #10	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO	3788.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #10	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO	6301.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #11	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	3830.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #11	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	3767.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #11	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	6134.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #12	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3824.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #12	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3749.4	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #12	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	5991.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #13	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	3899.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #13	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	3802.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #13	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	6049.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #14	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3877.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #14	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3942.3	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #14	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5214.9	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #15	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3967.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #15	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3996.3	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #15	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5270.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #16	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4018.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #16	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3937.1	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #16	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5350.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #17	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3890.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #17	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3917.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #17	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5871.9	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #18	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3947.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #18	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3914.3	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #18	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6075.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #19	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3901.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #19	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3822.3	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #19	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	5475.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #2	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3767.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #2	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3697.1	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #2	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	6067.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #20	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C	4021.8	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #20	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C	3773.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #20	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(N)CO[Si](C)(C)C	6251.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #21	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3879.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #21	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3739.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #21	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	6009.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #22	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3842.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #22	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3736.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #22	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	5988.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #23	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3939.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #23	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3780.1	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #23	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6072.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #24	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3895.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #24	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3939.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #24	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5226.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #25	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4014.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #25	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3975.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #25	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5317.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #26	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4031.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #26	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3930.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #26	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5382.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #27	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3955.8	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #27	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3890.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #27	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5880.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #28	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3998.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #28	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3884.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #28	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5948.9	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #29	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C	4090.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #29	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C	3859.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #29	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N[Si](C)(C)C	5577.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #3	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3765.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #3	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3634.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #3	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	6626.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #30	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3944.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #30	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3862.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #30	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	5446.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #31	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	4036.6	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #31	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	3924.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #31	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	5500.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #32	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C	4035.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #32	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C	3812.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #32	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO)[Si](C)(C)C	6195.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #33	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3957.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #33	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3825.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #33	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5991.1	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #34	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3998.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #34	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4026.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #34	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5286.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #35	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4058.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #35	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3980.1	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #35	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5361.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #36	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4172.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #36	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	4035.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #36	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5414.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #37	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3919.6	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #37	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3869.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #37	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	5527.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #38	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	4042.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #38	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	3823.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #38	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C	6306.1	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #39	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3899.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #39	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3795.3	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #39	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	6062.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #4	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3859.6	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #4	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3895.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #4	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5238.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #40	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3862.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #40	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3790.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #40	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	6041.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #41	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3967.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #41	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3828.2	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #41	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	6127.1	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #42	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3896.7	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #42	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3999.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #42	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5318.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #43	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4016.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #43	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4032.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #43	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5409.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #44	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4041.8	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #44	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3989.4	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #44	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5475.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #45	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	3959.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #45	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	3956.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #45	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O	5966.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #46	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4012.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #46	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	3948.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #46	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	6035.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #47	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	4109.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #47	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	3908.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #47	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	5638.9	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #48	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3955.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #48	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3917.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #48	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	5506.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #49	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	4051.6	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #49	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	3973.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #49	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	5562.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #5	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3785.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #5	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3824.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #5	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5873.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #50	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	4051.1	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #50	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	3871.1	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #50	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO)[Si](C)(C)C	6249.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #51	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3967.6	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #51	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3880.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #51	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6045.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #52	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4004.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #52	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4085.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #52	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5387.1	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #53	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4072.8	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #53	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4039.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #53	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5463.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #54	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4192.8	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #54	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4097.0	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #54	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5517.8	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #55	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	4121.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #55	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	3901.2	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #55	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C	5663.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #56	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3966.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #56	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	3909.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #56	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C	5511.9	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #57	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4086.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #57	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3949.2	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #57	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5601.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #58	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	4103.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #58	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	3843.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #58	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C	6124.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #59	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4033.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #59	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3851.1	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #59	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	6056.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #6	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3900.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #6	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3860.6	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #6	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5954.7	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #60	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4070.2	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #60	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4063.2	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #60	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5411.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #61	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4089.9	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #61	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4035.5	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #61	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5467.6	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #62	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4227.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #62	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4073.4	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #62	CC(=O)N(C(=O)C(CC(=O)O)NC(=O)C(CO[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5554.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #63	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	4161.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #63	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	3945.4	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #63	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N[Si](C)(C)C)[Si](C)(C)C	5642.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #64	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	4249.0	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #64	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	4006.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #64	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)NC(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C	5699.3	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #65	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4071.4	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #65	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3992.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #65	C=C(O[Si](C)(C)C)C1(C(=O)O)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	5566.5	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #66	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4249.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #66	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	4124.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #66	CC(=O)N(C(=O)C(CC(=O)O)N(C(=O)C(CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O	5534.4	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #7	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3825.8	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #7	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3828.7	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #7	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)N(C(=O)C(N)CO[Si](C)(C)C)[Si](C)(C)C)C(CCCCN[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	5894.2	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #8	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3962.3	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #8	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	3864.8	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #8	CC(=O)N(C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(N)CO[Si](C)(C)C)C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N1CCCC1(C(C)=O)C(=O)O[Si](C)(C)C	6139.0	Standard polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #9	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	3886.5	Semi standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #9	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	3828.9	Standard non polar	33892256
(2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid,5TMS,isomer #9	C=C(O[Si](C)(C)C)C1(C(=O)O[Si](C)(C)C)CCCN1C(=O)C(CCCCN[Si](C)(C)C)N(C(C)=O)C(=O)C(CC(=O)O[Si](C)(C)C)NC(=O)C(CO)N[Si](C)(C)C	5441.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid GC-MS (TMS_2_18) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid (HMDB0260128)

MOL for HMDB0260128 ((2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid)

3D MOL for HMDB0260128 ((2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid)

3D SDF for HMDB0260128 ((2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid)

3D-SDF for HMDB0260128 ((2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid)

PDB for HMDB0260128 ((2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid)

3D PDB for HMDB0260128 ((2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid)

SMILES for HMDB0260128 ((2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid)

INCHI for HMDB0260128 ((2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid)

Structure for HMDB0260128 ((2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid)

3D Structure for HMDB0260128 ((2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra