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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-05-17 01:21:04 UTC

Update Date

2022-03-07 03:17:44 UTC

HMDB ID

HMDB0060441

Secondary Accession Numbers

HMDB60441

Metabolite Identification

Common Name

beta-Alanyl-L-arginine

Description

beta-Alanyl-L-arginine, also known as betaala-arg, 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. beta-Alanyl-L-arginine is a very strong basic compound (based on its pKa).

Structure

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

HMDB0060441
     RDKit          3D
beta-Alanyl-L-arginine
 36 35  0  0  0  0  0  0  0  0999 V2000
    4.3188    1.1522    0.8162 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3640    1.2160   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573    2.4508   -0.5106 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195    0.0104   -0.5276 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -0.9425    0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.1720   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412   -1.9976   -1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6101   -1.3551   -0.6605 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3574   -0.0310   -0.1575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2021    0.8995    0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726    2.1033    0.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6294    0.7340   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4577    1.0396    0.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1639    2.4194    1.3473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520   -2.2054    0.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -1.8259    1.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785   -3.5188    0.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7225    2.0370    1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4245    3.2977   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.4935   -0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104   -0.1725   -1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586   -1.2088    1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674   -0.4564    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -2.8460    0.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913   -2.7335   -0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0064   -1.3374   -2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3785   -2.9815   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3769   -1.2802   -1.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9344    2.9571    0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8535   -0.2875   -0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9573    1.4308   -1.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1695    0.3385    1.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5306    0.9736    0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4084    2.6151    2.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7248    3.0357    0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5174   -3.8522   -0.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
  8 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  6
 11 29  1  0
 12 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
M  END

  Mrv1652304032019042D          

 18 17  0  0  1  0            999 V2000
   -1.2672   -1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8073   -1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5078   -2.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3179   -2.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4571   -1.1822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6175   -1.4940    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.9677   -1.9618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8931   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8580   -3.0531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332   -0.0908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632   -1.4940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830   -0.5586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1575   -2.1177    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2377   -1.1822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6976   -0.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3474   -0.0908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0774   -0.8704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  6  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  2  0  0  0  0
 12  9  1  0  0  0  0
 13  5  1  0  0  0  0
 13  9  1  0  0  0  0
  6 14  1  1  0  0  0
 14  7  2  0  0  0  0
  7 15  1  4  0  0  0
 16  8  2  0  0  0  0
 17  8  1  0  0  0  0
  6 18  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0060441

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@](CCCNC(N)=N)(N=C(O)CCN)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H19N5O3/c10-4-3-7(15)14-6(8(16)17)2-1-5-13-9(11)12/h6H,1-5,10H2,(H,14,15)(H,16,17)(H4,11,12,13)/t6-/m0/s1

> <INCHI_KEY>
DLRGFJGVZXSSTP-LURJTMIESA-N

> <FORMULA>
C9H19N5O3

> <MOLECULAR_WEIGHT>
245.2789

> <EXACT_MASS>
245.148789499

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
25.118286975445336

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(3-amino-1-hydroxypropylidene)amino]-5-carbamimidamidopentanoic acid

> <ALOGPS_LOGP>
-3.76

> <JCHEM_LOGP>
-5.446002882864801

> <ALOGPS_LOGS>
-2.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
5.534777054751538

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.707575561696398

> <JCHEM_PKA_STRONGEST_BASIC>
12.149960651311334

> <JCHEM_POLAR_SURFACE_AREA>
157.81

> <JCHEM_REFRACTIVITY>
71.94769999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.47e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(3-amino-1-hydroxypropylidene)amino]-5-carbamimidamidopentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0060441
     RDKit          3D
beta-Alanyl-L-arginine
 36 35  0  0  0  0  0  0  0  0999 V2000
    4.3188    1.1522    0.8162 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3640    1.2160   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573    2.4508   -0.5106 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195    0.0104   -0.5276 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -0.9425    0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.1720   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412   -1.9976   -1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6101   -1.3551   -0.6605 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3574   -0.0310   -0.1575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2021    0.8995    0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726    2.1033    0.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6294    0.7340   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4577    1.0396    0.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1639    2.4194    1.3473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520   -2.2054    0.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -1.8259    1.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785   -3.5188    0.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7225    2.0370    1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4245    3.2977   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.4935   -0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104   -0.1725   -1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586   -1.2088    1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674   -0.4564    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -2.8460    0.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913   -2.7335   -0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0064   -1.3374   -2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3785   -2.9815   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3769   -1.2802   -1.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9344    2.9571    0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8535   -0.2875   -0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9573    1.4308   -1.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1695    0.3385    1.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5306    0.9736    0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4084    2.6151    2.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7248    3.0357    0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5174   -3.8522   -0.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
  8 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  6
 11 29  1  0
 12 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
M  END

HEADER    PROTEIN                                 03-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-APR-20         0                                  
HETATM    1  C   UNK     0      -2.365  -1.916   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.374  -3.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -8.415  -4.826   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.927  -4.535   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.853  -2.207   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -4.886  -2.789   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.406  -3.662   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.390  -1.334   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.667  -1.334   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0     -10.935  -5.699   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       2.675  -0.169   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0       2.171  -2.789   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       0.155  -1.043   0.000  0.00  0.00           N+0
HETATM   14  N   UNK     0      -5.894  -3.953   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0      -7.910  -2.207   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      -6.902  -1.043   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      -4.382  -0.169   0.000  0.00  0.00           O+0
HETATM   18  H   UNK     0      -3.878  -1.625   0.000  0.00  0.00           H+0
CONECT    1    2    5                                                       
CONECT    2    1    6                                                       
CONECT    3    4    7                                                       
CONECT    4    3   10                                                       
CONECT    5    1   13                                                       
CONECT    6    2    8   14   18                                             
CONECT    7    3   14   15                                                  
CONECT    8    6   16   17                                                  
CONECT    9   11   12   13                                                  
CONECT   10    4                                                            
CONECT   11    9                                                            
CONECT   12    9                                                            
CONECT   13    5    9                                                       
CONECT   14    6    7                                                       
CONECT   15    7                                                            
CONECT   16    8                                                            
CONECT   17    8                                                            
CONECT   18    6                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   34    0
END

COMPND    HMDB0060441
HETATM    1  N1  UNL     1       4.319   1.152   0.816  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.364   1.216  -0.045  1.00  0.00           C  
HETATM    3  N2  UNL     1       2.857   2.451  -0.511  1.00  0.00           N  
HETATM    4  N3  UNL     1       2.819   0.010  -0.528  1.00  0.00           N  
HETATM    5  C2  UNL     1       2.286  -0.943   0.405  1.00  0.00           C  
HETATM    6  C3  UNL     1       1.742  -2.172  -0.229  1.00  0.00           C  
HETATM    7  C4  UNL     1       0.641  -1.998  -1.198  1.00  0.00           C  
HETATM    8  C5  UNL     1      -0.610  -1.355  -0.661  1.00  0.00           C  
HETATM    9  N4  UNL     1      -0.357  -0.031  -0.157  1.00  0.00           N  
HETATM   10  C6  UNL     1      -1.202   0.899   0.035  1.00  0.00           C  
HETATM   11  O1  UNL     1      -0.673   2.103   0.539  1.00  0.00           O  
HETATM   12  C7  UNL     1      -2.629   0.734  -0.247  1.00  0.00           C  
HETATM   13  C8  UNL     1      -3.458   1.040   0.992  1.00  0.00           C  
HETATM   14  N5  UNL     1      -3.164   2.419   1.347  1.00  0.00           N  
HETATM   15  C9  UNL     1      -1.252  -2.205   0.390  1.00  0.00           C  
HETATM   16  O2  UNL     1      -1.511  -1.826   1.543  1.00  0.00           O  
HETATM   17  O3  UNL     1      -1.579  -3.519   0.033  1.00  0.00           O  
HETATM   18  H1  UNL     1       4.723   2.037   1.174  1.00  0.00           H  
HETATM   19  H2  UNL     1       3.424   3.298  -0.660  1.00  0.00           H  
HETATM   20  H3  UNL     1       1.825   2.493  -0.715  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.810  -0.173  -1.538  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.159  -1.209   1.077  1.00  0.00           H  
HETATM   23  H6  UNL     1       1.567  -0.456   1.099  1.00  0.00           H  
HETATM   24  H7  UNL     1       1.394  -2.846   0.606  1.00  0.00           H  
HETATM   25  H8  UNL     1       2.591  -2.734  -0.698  1.00  0.00           H  
HETATM   26  H9  UNL     1       1.006  -1.337  -2.027  1.00  0.00           H  
HETATM   27  H10 UNL     1       0.379  -2.982  -1.647  1.00  0.00           H  
HETATM   28  H11 UNL     1      -1.377  -1.280  -1.487  1.00  0.00           H  
HETATM   29  H12 UNL     1      -0.934   2.957   0.069  1.00  0.00           H  
HETATM   30  H13 UNL     1      -2.853  -0.288  -0.552  1.00  0.00           H  
HETATM   31  H14 UNL     1      -2.957   1.431  -1.055  1.00  0.00           H  
HETATM   32  H15 UNL     1      -3.170   0.338   1.771  1.00  0.00           H  
HETATM   33  H16 UNL     1      -4.531   0.974   0.761  1.00  0.00           H  
HETATM   34  H17 UNL     1      -3.408   2.615   2.331  1.00  0.00           H  
HETATM   35  H18 UNL     1      -3.725   3.036   0.728  1.00  0.00           H  
HETATM   36  H19 UNL     1      -1.517  -3.852  -0.920  1.00  0.00           H  
CONECT    1    2    2   18
CONECT    2    3    4
CONECT    3   19   20
CONECT    4    5   21
CONECT    5    6   22   23
CONECT    6    7   24   25
CONECT    7    8   26   27
CONECT    8    9   15   28
CONECT    9   10   10
CONECT   10   11   12
CONECT   11   29
CONECT   12   13   30   31
CONECT   13   14   32   33
CONECT   14   34   35
CONECT   15   16   16   17
CONECT   17   36
END

HMDB0060441
     RDKit          3D
beta-Alanyl-L-arginine
 36 35  0  0  0  0  0  0  0  0999 V2000
    4.3188    1.1522    0.8162 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3640    1.2160   -0.0451 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8573    2.4508   -0.5106 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8195    0.0104   -0.5276 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2859   -0.9425    0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417   -2.1720   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6412   -1.9976   -1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6101   -1.3551   -0.6605 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3574   -0.0310   -0.1575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2021    0.8995    0.0352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6726    2.1033    0.5390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6294    0.7340   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4577    1.0396    0.9921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1639    2.4194    1.3473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2520   -2.2054    0.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5105   -1.8259    1.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785   -3.5188    0.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7225    2.0370    1.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4245    3.2977   -0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8250    2.4935   -0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104   -0.1725   -1.5381 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1586   -1.2088    1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5674   -0.4564    1.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940   -2.8460    0.6056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5913   -2.7335   -0.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0064   -1.3374   -2.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3785   -2.9815   -1.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3769   -1.2802   -1.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9344    2.9571    0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8535   -0.2875   -0.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9573    1.4308   -1.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1695    0.3385    1.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5306    0.9736    0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4084    2.6151    2.3309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7248    3.0357    0.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5174   -3.8522   -0.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
  8 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  5 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  6
 11 29  1  0
 12 30  1  0
 12 31  1  0
 13 32  1  0
 13 33  1  0
 14 34  1  0
 14 35  1  0
 17 36  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2S)-5-{[amino(imino)methyl]amino}-2-[(3-aminopropanoyl)amino]pentanoic acid	ChEBI
BetaAla-arg	ChEBI
(2S)-5-{[amino(imino)methyl]amino}-2-[(3-aminopropanoyl)amino]pentanoate	Generator
b-Alanyl-L-arginine	Generator
Β-alanyl-L-arginine	Generator

Chemical Formula

C₉H₁₉N₅O₃

Average Molecular Weight

245.2789

Monoisotopic Molecular Weight

245.148789499

IUPAC Name

(2S)-2-[(3-amino-1-hydroxypropylidene)amino]-5-carbamimidamidopentanoic acid

Traditional Name

(2S)-2-[(3-amino-1-hydroxypropylidene)amino]-5-carbamimidamidopentanoic acid

CAS Registry Number

Not Available

SMILES

NCCC(O)=N[C@@H](CCCNC(N)=N)C(O)=O

InChI Identifier

InChI=1S/C9H19N5O3/c10-4-3-7(15)14-6(8(16)17)2-1-5-13-9(11)12/h6H,1-5,10H2,(H,14,15)(H,16,17)(H4,11,12,13)/t6-/m0/s1

InChI Key

DLRGFJGVZXSSTP-LURJTMIESA-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
N-acyl-l-alpha-amino acid
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Beta amino acid or derivatives
Alpha-amino acid or derivatives
Fatty acid
Amino acid or derivatives
Carboxamide group
Amino acid
Guanidine
Secondary carboxylic acid amide
Carboxylic acid derivative
Carboxylic acid
Organic 1,3-dipolar compound
Monocarboxylic acid or derivatives
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Primary aliphatic amine
Amine
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organopnictogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

dipeptide (CHEBI:28712 )

Ontology

Not Available

Exogenous (HMDB: HMDB0060441)

Food

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

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
Water Solubility	0.55 g/L	ALOGPS
logP	-3.8	ALOGPS
logP	-5.4	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	3.71	ChemAxon
pKa (Strongest Basic)	12.15	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	157.81 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	71.95 m³·mol⁻¹	ChemAxon
Polarizability	25.12 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	157.469	31661259
DarkChem	[M-H]-	154.64	31661259
DeepCCS	[M+H]+	154.864	30932474
DeepCCS	[M-H]-	152.506	30932474
DeepCCS	[M-2H]-	185.498	30932474
DeepCCS	[M+Na]+	160.957	30932474
AllCCS	[M+H]+	153.7	32859911
AllCCS	[M+H-H2O]+	150.5	32859911
AllCCS	[M+NH4]+	156.6	32859911
AllCCS	[M+Na]+	157.5	32859911
AllCCS	[M-H]-	156.2	32859911
AllCCS	[M+Na-2H]-	156.9	32859911
AllCCS	[M+HCOO]-	157.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
beta-Alanyl-L-arginine	NCCC(O)=N[C@@H](CCCNC(N)=N)C(O)=O	3580.6	Standard polar	33892256
beta-Alanyl-L-arginine	NCCC(O)=N[C@@H](CCCNC(N)=N)C(O)=O	2437.3	Standard non polar	33892256
beta-Alanyl-L-arginine	NCCC(O)=N[C@@H](CCCNC(N)=N)C(O)=O	2761.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
beta-Alanyl-L-arginine,1TMS,isomer #1	C[Si](C)(C)OC(CCN)=N[C@@H](CCCNC(=N)N)C(=O)O	2651.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,1TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(O)CCN	2600.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,1TMS,isomer #3	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N)C(=O)O	2769.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,1TMS,isomer #4	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN)C(=O)O	2780.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,1TMS,isomer #5	C[Si](C)(C)N(CCC[C@H](N=C(O)CCN)C(=O)O)C(=N)N	2733.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,1TMS,isomer #6	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN)C(=O)O	2629.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(CCN)O[Si](C)(C)C	2585.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #10	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O	2885.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #11	C[Si](C)(C)N(CCC(O)=N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C	2890.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #12	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	2790.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #13	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O	2686.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #14	C[Si](C)(C)N(C(=N)NCCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C	2787.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #15	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O)N[Si](C)(C)C	2666.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #16	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C	2751.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #17	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C	2608.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #2	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C	2709.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #3	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O	2743.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #4	C[Si](C)(C)OC(CCN)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	2652.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #5	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O	2555.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #6	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C	2718.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #7	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C	2697.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N=C(O)CCN	2600.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TMS,isomer #9	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C	2511.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2723.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2308.7	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4529.7	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2666.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2181.7	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4493.9	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #11	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2717.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #11	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2404.6	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #11	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4508.1	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #12	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2580.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #12	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2202.1	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #12	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4727.6	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #13	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2815.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #13	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	2398.0	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #13	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	4497.4	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN	2715.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN	2444.7	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #14	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN	4379.6	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #15	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2598.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #15	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2168.0	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #15	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4408.3	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #16	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2644.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #16	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2370.3	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #16	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4423.1	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	2808.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	2388.8	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #17	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	4737.4	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #18	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2665.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #18	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2375.1	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #18	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4524.1	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #19	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2616.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #19	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	2306.0	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #19	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C	4528.4	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #2	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2662.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #2	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2271.5	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #2	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4692.1	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #20	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2523.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #20	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2194.2	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #20	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4653.6	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #21	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2962.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #21	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2488.3	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #21	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4621.1	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #22	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2828.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #22	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2490.9	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #22	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4482.4	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #23	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2758.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #23	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2302.8	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #23	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4501.1	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #24	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2859.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #24	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2534.8	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #24	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4395.2	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #25	C[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N	2881.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #25	C[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N	2527.8	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #25	C[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N	4682.7	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #26	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2765.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #26	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2407.1	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #26	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4679.3	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #27	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2689.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #27	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2333.8	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #27	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4550.3	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2675.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2338.0	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4354.3	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #29	C[Si](C)(C)N(CCC[C@H](N=C(O)CCN)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2756.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #29	C[Si](C)(C)N(CCC[C@H](N=C(O)CCN)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2549.2	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #29	C[Si](C)(C)N(CCC[C@H](N=C(O)CCN)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	4461.6	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C	2573.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C	2266.1	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C	4739.0	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #30	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C	2649.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #30	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C	2253.2	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #30	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C	4352.5	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #4	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2502.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #4	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2192.3	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #4	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4727.8	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #5	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2835.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #5	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2414.1	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #5	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4577.2	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #6	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCNC(=N)N)C(=O)O	2835.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #6	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCNC(=N)N)C(=O)O	2397.7	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #6	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCNC(=N)N)C(=O)O	4820.4	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #7	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2713.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #7	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2401.0	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #7	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4595.8	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #8	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2628.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #8	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2299.7	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #8	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	4599.9	Standard polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #9	C[Si](C)(C)OC(CCN)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2767.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #9	C[Si](C)(C)OC(CCN)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2459.3	Standard non polar	33892256
beta-Alanyl-L-arginine,3TMS,isomer #9	C[Si](C)(C)OC(CCN)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	4463.0	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #1	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2807.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #1	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2401.6	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #1	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4124.6	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #10	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2805.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #10	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2491.9	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #10	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4124.4	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #11	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2760.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #11	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2251.1	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #11	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4188.9	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #12	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2838.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #12	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2545.1	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #12	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	4045.1	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #13	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	2862.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #13	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	2480.3	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #13	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O	4452.1	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #14	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2757.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #14	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2365.9	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #14	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	4490.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #15	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2660.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #15	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2280.7	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #15	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4369.9	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #16	C[Si](C)(C)OC(CCN)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2763.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #16	C[Si](C)(C)OC(CCN)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2550.0	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #16	C[Si](C)(C)OC(CCN)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4182.6	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #17	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2684.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #17	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2250.7	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #17	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4106.0	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #18	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2672.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #18	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2202.0	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #18	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4102.9	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #19	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2927.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #19	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2488.0	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #19	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4196.7	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C	2739.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C	2436.5	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C	4165.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #20	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2747.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #20	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2486.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #20	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4062.2	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #21	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2712.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #21	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2256.3	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #21	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4127.8	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #22	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2809.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #22	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2551.9	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #22	C[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3992.3	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN	2705.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN	2540.1	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #23	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN	4124.6	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #24	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2644.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #24	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2265.8	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #24	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4048.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #25	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2593.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #25	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2208.4	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #25	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4043.9	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	2803.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	2480.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #26	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	4399.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #27	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2722.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #27	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2385.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #27	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	4436.3	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #28	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2621.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #28	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2289.0	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #28	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4318.3	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #29	C[Si](C)(C)N(CCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2974.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #29	C[Si](C)(C)N(CCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2638.5	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #29	C[Si](C)(C)N(CCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4145.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2635.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2161.5	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	4212.2	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #30	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2875.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #30	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2325.9	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #30	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	4253.1	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #31	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2939.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #31	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2581.4	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #31	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4214.2	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #32	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2748.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #32	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2345.5	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #32	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4051.2	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #33	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2829.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #33	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2657.1	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #33	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	4066.0	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #34	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2772.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #34	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2401.5	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #34	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	4025.4	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #35	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2809.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #35	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2393.3	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #35	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4452.0	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #36	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2679.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #36	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2422.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #36	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3948.1	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #4	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2683.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #4	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2385.9	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #4	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4207.4	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2792.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2369.4	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	4528.3	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #6	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2641.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #6	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2376.1	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #6	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	4350.0	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #7	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2575.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #7	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2286.9	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #7	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4391.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #8	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2542.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #8	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2186.0	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #8	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4571.7	Standard polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #9	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2962.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #9	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	2479.9	Standard non polar	33892256
beta-Alanyl-L-arginine,4TMS,isomer #9	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O	4267.0	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2939.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2482.8	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #1	C[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3872.1	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #10	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2580.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #10	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2288.5	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #10	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4193.5	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #11	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2980.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #11	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	2615.6	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #11	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3866.6	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #12	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2894.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #12	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	2323.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #12	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N[Si](C)(C)C	3974.2	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #13	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2949.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #13	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2568.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #13	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3930.9	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2716.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2299.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #14	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3729.0	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #15	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2811.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #15	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	2634.6	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #15	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	3756.1	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2726.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2334.5	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #16	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3717.2	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #17	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2829.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #17	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2371.9	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #17	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	4299.3	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #18	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2696.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #18	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2372.4	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #18	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3708.4	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	2956.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	2630.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #19	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	3823.0	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #2	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2740.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #2	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2496.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #2	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3696.4	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #20	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2847.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #20	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2324.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #20	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3924.7	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #21	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2907.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #21	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2571.8	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #21	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3879.4	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #22	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2673.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #22	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2316.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #22	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3686.7	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #23	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2765.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #23	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	2641.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #23	C[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3711.9	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #24	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2713.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #24	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2353.6	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #24	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3680.1	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #25	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2636.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #25	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2404.8	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #25	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3669.7	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #26	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2795.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #26	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2376.8	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #26	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4262.9	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #27	C[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2964.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #27	C[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	2742.5	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #27	C[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C	3899.4	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2918.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2435.8	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #28	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3843.2	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #29	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2899.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #29	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2394.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #29	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3854.6	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2698.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2267.5	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #3	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3771.4	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #30	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2747.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #30	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2548.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #30	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3573.1	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #4	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2770.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #4	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2533.4	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #4	C[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3641.6	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C	2717.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C	2521.4	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C	3928.0	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2659.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2240.6	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3866.3	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #7	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2627.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #7	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2205.6	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #7	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3863.9	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2813.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2476.6	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	4235.6	Standard polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #9	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2733.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #9	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	2362.8	Standard non polar	33892256
beta-Alanyl-L-arginine,5TMS,isomer #9	C[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4303.9	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2953.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2622.3	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3486.7	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2921.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	2429.2	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #10	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C	3563.9	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #11	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2900.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #11	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	2409.5	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #11	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3565.2	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #12	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2724.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #12	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2500.4	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #12	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3264.2	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	2964.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	2724.6	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C	3569.7	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2894.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2432.3	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #14	C[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3532.0	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #15	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2854.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #15	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2410.3	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #15	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3528.4	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #16	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2673.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #16	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2535.2	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #16	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3245.0	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #17	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2946.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #17	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2608.6	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #17	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3430.0	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2864.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	2370.4	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N[Si](C)(C)C	3594.1	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2904.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2590.5	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #3	C[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3530.4	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2643.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2319.8	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #4	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3325.8	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #5	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2757.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #5	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	2623.9	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #5	C[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	3329.8	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2684.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2350.0	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #6	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3327.8	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #7	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2650.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #7	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2390.4	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #7	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3483.9	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #8	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2808.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #8	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2399.3	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #8	C[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	4120.6	Standard polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #9	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2994.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #9	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	2712.2	Standard non polar	33892256
beta-Alanyl-L-arginine,6TMS,isomer #9	C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)O	3606.5	Standard polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3014.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	2718.9	Standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C	3208.2	Standard polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2913.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2462.6	Standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #2	C[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3183.8	Standard polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2870.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2447.3	Standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #3	C[Si](C)(C)N=C(N[Si](C)(C)C)N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3191.7	Standard polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #4	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2681.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #4	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2526.4	Standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #4	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2901.6	Standard polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #5	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2979.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #5	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2598.7	Standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #5	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3142.8	Standard polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #6	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2928.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #6	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2617.3	Standard non polar	33892256
beta-Alanyl-L-arginine,7TMS,isomer #6	C[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3131.4	Standard polar	33892256
beta-Alanyl-L-arginine,8TMS,isomer #1	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2964.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,8TMS,isomer #1	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2638.7	Standard non polar	33892256
beta-Alanyl-L-arginine,8TMS,isomer #1	C[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	2872.9	Standard polar	33892256
beta-Alanyl-L-arginine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCNC(=N)N)C(=O)O	2843.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(O)CCN	2817.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N)C(=O)O	2963.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN)C(=O)O	3002.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCC[C@H](N=C(O)CCN)C(=O)O)C(=N)N	2917.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN)C(=O)O	2857.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(CCN)O[Si](C)(C)C(C)(C)C	2990.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O	3318.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(CCC(O)=N[C@@H](CCCNC(=N)N)C(=O)O)[Si](C)(C)C(C)(C)C	3252.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	3203.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O	3109.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(=N)NCCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C(C)(C)C	3184.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O)N[Si](C)(C)C(C)(C)C	3107.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C(C)(C)C	3188.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C(C)(C)C	3049.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N)C(=O)O)O[Si](C)(C)C(C)(C)C	3120.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O	3182.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	3061.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O	2976.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C	3159.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C	3104.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(O)CCN	3048.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C	2958.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3347.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2790.9	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4290.3	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3272.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	2590.9	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	4243.4	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3338.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2853.3	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4273.4	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3195.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2650.2	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4641.2	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3452.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2902.2	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4249.7	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN	3312.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN	2930.9	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN	4210.2	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3237.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2663.1	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4215.9	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3316.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2890.0	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4245.0	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3408.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2927.3	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4591.9	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3309.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2921.2	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4460.3	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3217.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2784.3	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4491.0	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3264.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2796.8	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4539.0	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3171.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2719.0	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4613.1	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3593.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2968.5	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4355.9	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3485.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2980.5	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4252.0	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3397.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	2706.5	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	4232.8	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3472.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3025.4	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4202.4	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	3470.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	3011.4	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N	4550.5	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3398.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2861.3	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4578.0	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3332.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2785.1	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4499.9	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3292.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2792.4	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4150.4	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(CCC[C@H](N=C(O)CCN)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3338.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(CCC[C@H](N=C(O)CCN)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3039.2	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(CCC[C@H](N=C(O)CCN)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4230.6	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C	3181.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C	2782.7	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C	4634.6	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C(C)(C)C	3269.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C(C)(C)C	2712.5	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C(C)(C)C	4162.9	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3100.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2663.1	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4654.0	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3462.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	2853.6	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	4275.5	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCNC(=N)N)C(=O)O	3413.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCNC(=N)N)C(=O)O	2866.5	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCNC(=N)N)C(=O)O	4618.1	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3322.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	2865.1	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	4483.8	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3227.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2701.9	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4516.9	Standard polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3333.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	2896.0	Standard non polar	33892256
beta-Alanyl-L-arginine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4238.4	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3612.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2984.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3939.6	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3602.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3048.1	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	4002.9	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3530.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	2757.4	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3985.8	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3614.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3100.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3962.9	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	3632.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	3061.1	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O	4389.4	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3549.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	2898.7	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4435.4	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3466.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2822.8	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4381.3	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3544.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3118.4	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4037.4	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3458.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2813.8	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3974.9	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3434.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2758.0	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3991.9	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3730.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3122.3	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4081.6	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C	3470.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C	3036.5	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C	4028.3	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3575.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3118.8	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3986.1	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3499.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2851.4	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3972.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3588.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3173.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3950.2	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN	3501.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN	3185.1	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN	4020.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3416.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2914.5	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3959.6	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3391.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2847.4	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3975.2	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3618.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3150.6	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4377.7	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3539.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3004.5	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4423.3	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3449.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2920.0	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4368.9	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(CCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3750.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(CCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3238.8	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N(CCC(O)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4076.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3396.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2741.1	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	4044.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3693.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	2919.6	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	4092.4	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3744.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3199.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4117.1	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3549.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2903.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3950.0	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3638.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3271.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4006.6	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3571.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2971.8	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3932.3	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3620.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2992.3	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4460.2	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3497.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3042.8	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3884.5	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3469.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2997.5	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4064.2	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3546.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3007.4	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N)N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4400.3	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3432.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2995.1	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4304.6	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3338.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2838.5	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4351.3	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3343.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2800.2	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4563.8	Standard polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3745.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	3041.6	Standard non polar	33892256
beta-Alanyl-L-arginine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O	4098.6	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3879.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3201.4	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3861.3	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3590.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2996.8	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4263.9	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3936.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3297.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3890.5	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3850.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	2999.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N[Si](C)(C)C(C)(C)C	3911.5	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3915.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3254.6	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3929.0	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3682.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	2966.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3783.3	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3817.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3306.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	3811.8	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3717.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3009.7	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3759.1	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3822.4	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3060.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	4346.1	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3702.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3088.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3798.1	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3907.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3389.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3883.2	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3715.6	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3200.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCN(C(=N)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3776.9	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3821.8	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3098.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3900.6	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3891.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3347.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(=N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3916.6	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3646.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3065.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3779.0	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3777.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3399.7	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3809.6	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3685.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3118.3	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3759.7	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3642.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3201.0	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3784.3	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3810.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3160.6	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)N=C(N)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4344.4	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3930.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3479.7	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3929.1	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3884.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3177.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3872.0	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3865.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3127.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C	3890.6	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3634.5	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	2950.0	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C	3772.5	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3783.3	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3255.6	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N=C(N(CCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3719.9	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3716.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3245.2	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCNC(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3737.3	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C	3694.7	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C	3255.8	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C	3893.1	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3581.9	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2970.7	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N=C(NCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3855.3	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3543.2	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2921.0	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)N=C(N[Si](C)(C)C(C)(C)C)N(CCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3874.9	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3790.0	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3214.1	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(C(=N)N)[Si](C)(C)C(C)(C)C)N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4249.9	Standard polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3699.1	Semi standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3066.0	Standard non polar	33892256
beta-Alanyl-L-arginine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N=C(N)NCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4302.1	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Alanyl-L-arginine GC-MS (Non-derivatized) - 70eV, Positive	splash10-006x-9200000000-7d409f770f7e938fbca2	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Alanyl-L-arginine GC-MS (2 TMS) - 70eV, Positive	splash10-00di-9242000000-28cec27ad61623f7105c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - beta-Alanyl-L-arginine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 10V, Positive-QTOF	splash10-00ba-1590000000-cd83bb7dda272bd6744a	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 20V, Positive-QTOF	splash10-024i-4920000000-6a23299adca72bd98ffb	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 40V, Positive-QTOF	splash10-03dl-9500000000-c7181db18d467dd6159e	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 10V, Negative-QTOF	splash10-0zfu-2390000000-c0970753031b4b73650c	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 20V, Negative-QTOF	splash10-0a4i-9850000000-d6b63a22053afb8284c1	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 40V, Negative-QTOF	splash10-0006-9000000000-9a88b9ed95982ee187b7	2017-10-06	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 10V, Positive-QTOF	splash10-002b-0290000000-ed19ae0662dbbb7efa18	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 20V, Positive-QTOF	splash10-004j-3790000000-3499083c237bf654580e	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 40V, Positive-QTOF	splash10-03dl-9700000000-5a81747d73dc73febf1c	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 10V, Negative-QTOF	splash10-0006-0190000000-3b94280e71d0da5bee36	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 20V, Negative-QTOF	splash10-004i-2940000000-fd41cc52df007d8c4aff	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - beta-Alanyl-L-arginine 40V, Negative-QTOF	splash10-0006-9200000000-038f48bfe4af3ee369d3	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C05340

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440637

PDB ID

Not Available

ChEBI ID

28712

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

Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

Enzyme Details

1. Carnosine synthase 1

General function:: Involved in catalytic activity
Specific function:: Catalyzes the synthesis of carnosine and homocarnosine. Carnosine is synthesized more efficiently than homocarnosine.
Gene Name:: CARNS1
Uniprot ID:: A5YM72
Molecular weight:: 101318.725

Reactions

Adenosine triphosphate + L-Arginine + beta-Alanine → Adenosine monophosphate + Pyrophosphate + beta-Alanyl-L-arginine	details

Showing metabocard for beta-Alanyl-L-arginine (HMDB0060441)

MOL for HMDB0060441 (beta-Alanyl-L-arginine)

3D MOL for HMDB0060441 (beta-Alanyl-L-arginine)

3D SDF for HMDB0060441 (beta-Alanyl-L-arginine)

3D-SDF for HMDB0060441 (beta-Alanyl-L-arginine)

PDB for HMDB0060441 (beta-Alanyl-L-arginine)

3D PDB for HMDB0060441 (beta-Alanyl-L-arginine)

SMILES for HMDB0060441 (beta-Alanyl-L-arginine)

INCHI for HMDB0060441 (beta-Alanyl-L-arginine)

Structure for HMDB0060441 (beta-Alanyl-L-arginine)

3D Structure for HMDB0060441 (beta-Alanyl-L-arginine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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