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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 21:03:36 UTC

Update Date

2021-09-14 15:37:04 UTC

HMDB ID

HMDB0029078

Secondary Accession Numbers

HMDB29078

Metabolite Identification

Common Name

Tryptophyl-Asparagine

Description

Tryptophyl-Asparagine is a dipeptide composed of tryptophan and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.

Structure

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

HMDB0029078
     RDKit          3D
Tryptophyl-Asparagine
 41 42  0  0  0  0  0  0  0  0999 V2000
    4.8659    2.2663    0.8846 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726    2.5522    0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8023    3.3279   -0.8413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035    1.9332    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2605    0.5688   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026   -0.0598    0.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794   -1.2239    1.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124   -1.7090    1.5109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898   -1.8250    1.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0453   -2.9777    2.4547 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645   -2.3629    0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509   -1.4612   -0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821   -1.3242   -1.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0105   -0.3718   -2.3888 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8803    0.1655   -1.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8239    1.1659   -1.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5685    1.4862   -0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3644    0.8211    0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4062   -0.1846    0.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6592   -0.5135   -0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    0.5796   -1.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5478    0.1347   -2.2956 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563    1.0904   -2.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1882    1.3082    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042    3.0725    1.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916    2.6258    0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436    1.8947    1.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0807   -0.0569    0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0929    0.3543    0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8568   -1.1530    2.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0859   -3.8691    1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -2.8422    2.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5881   -3.1797   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880   -2.9397    1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038   -1.9308   -2.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9601   -0.0400   -3.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9613    1.6711   -2.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3165    2.2658   -0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9196    1.0384    1.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2275   -0.7160    1.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    0.4184   -2.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  5 21  1  0
 21 22  2  0
 21 23  1  0
 20 12  1  0
 20 15  1  0
  1 24  1  0
  1 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  6 29  1  0
  9 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  0
 11 34  1  0
 13 35  1  0
 14 36  1  0
 16 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 23 41  1  0
M  END


  Mrv1652304062014172D          

 23 24  0  0  0  0            999 V2000
    0.7233    0.0320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0089   -1.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056    0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056    0.8570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4201   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1345    0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    0.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0277    1.0240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4402    0.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8882   -0.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1432   -1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9501   -1.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5022   -0.6466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2472    0.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523    0.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8668   -0.3805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5812    0.0320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8668   -1.2055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378   -1.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1523   -1.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233   -1.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 10 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029078

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(N)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H18N4O4/c16-10(14(21)19-12(15(22)23)6-13(17)20)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)

> <INCHI_KEY>
GRQCSEWEPIHLBI-UHFFFAOYSA-N

> <FORMULA>
C15H18N4O4

> <MOLECULAR_WEIGHT>
318.3278

> <EXACT_MASS>
318.132805084

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
41

> <JCHEM_AVERAGE_POLARIZABILITY>
32.10011606718889

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

> <ALOGPS_LOGP>
-1.52

> <JCHEM_LOGP>
-3.074071485045612

> <ALOGPS_LOGS>
-2.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.329613016640696

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5696033076283213

> <JCHEM_PKA_STRONGEST_BASIC>
7.959189944848984

> <JCHEM_POLAR_SURFACE_AREA>
151.29999999999998

> <JCHEM_REFRACTIVITY>
81.35779999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.00e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029078
     RDKit          3D
Tryptophyl-Asparagine
 41 42  0  0  0  0  0  0  0  0999 V2000
    4.8659    2.2663    0.8846 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726    2.5522    0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8023    3.3279   -0.8413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035    1.9332    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2605    0.5688   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026   -0.0598    0.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794   -1.2239    1.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124   -1.7090    1.5109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898   -1.8250    1.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0453   -2.9777    2.4547 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645   -2.3629    0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509   -1.4612   -0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821   -1.3242   -1.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0105   -0.3718   -2.3888 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8803    0.1655   -1.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8239    1.1659   -1.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5685    1.4862   -0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3644    0.8211    0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4062   -0.1846    0.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6592   -0.5135   -0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    0.5796   -1.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5478    0.1347   -2.2956 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563    1.0904   -2.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1882    1.3082    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042    3.0725    1.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916    2.6258    0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436    1.8947    1.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0807   -0.0569    0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0929    0.3543    0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8568   -1.1530    2.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0859   -3.8691    1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -2.8422    2.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5881   -3.1797   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880   -2.9397    1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038   -1.9308   -2.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9601   -0.0400   -3.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9613    1.6711   -2.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3165    2.2658   -0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9196    1.0384    1.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2275   -0.7160    1.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    0.4184   -2.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  5 21  1  0
 21 22  2  0
 21 23  1  0
 20 12  1  0
 20 15  1  0
  1 24  1  0
  1 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  6 29  1  0
  9 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  0
 11 34  1  0
 13 35  1  0
 14 36  1  0
 16 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 23 41  1  0
M  END

HEADER    PROTEIN                                 06-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-APR-20         0                                  
HETATM    1  N   UNK     0       1.350   0.060   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       0.017  -0.710   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       0.017  -2.250   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -1.317   0.060   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0      -1.317   1.600   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0      -2.651  -0.710   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.984   0.060   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.145   1.591   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      -5.652   1.911   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      -6.422   0.578   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.391  -0.567   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.867  -2.031   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -7.374  -2.351   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -8.404  -1.207   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -7.928   0.258   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.684  -0.710   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.018   0.060   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.351  -0.710   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0       6.685   0.060   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0       5.351  -2.250   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.684  -2.250   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       4.018  -3.020   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       1.350  -3.020   0.000  0.00  0.00           O+0
CONECT    1    2   16                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8   11                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10    7   12                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16    1   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   16   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0029078
HETATM    1  N1  UNL     1       4.866   2.266   0.885  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.673   2.552   0.142  1.00  0.00           C  
HETATM    3  O1  UNL     1       3.802   3.328  -0.841  1.00  0.00           O  
HETATM    4  C2  UNL     1       2.403   1.933   0.569  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.261   0.569  -0.040  1.00  0.00           C  
HETATM    6  N2  UNL     1       1.003  -0.060   0.378  1.00  0.00           N  
HETATM    7  C4  UNL     1       0.979  -1.224   1.175  1.00  0.00           C  
HETATM    8  O2  UNL     1       2.112  -1.709   1.511  1.00  0.00           O  
HETATM    9  C5  UNL     1      -0.290  -1.825   1.585  1.00  0.00           C  
HETATM   10  N3  UNL     1       0.045  -2.978   2.455  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.164  -2.363   0.528  1.00  0.00           C  
HETATM   12  C7  UNL     1      -1.651  -1.461  -0.500  1.00  0.00           C  
HETATM   13  C8  UNL     1      -1.282  -1.324  -1.822  1.00  0.00           C  
HETATM   14  N4  UNL     1      -2.010  -0.372  -2.389  1.00  0.00           N  
HETATM   15  C9  UNL     1      -2.880   0.165  -1.506  1.00  0.00           C  
HETATM   16  C10 UNL     1      -3.824   1.166  -1.634  1.00  0.00           C  
HETATM   17  C11 UNL     1      -4.568   1.486  -0.516  1.00  0.00           C  
HETATM   18  C12 UNL     1      -4.364   0.821   0.677  1.00  0.00           C  
HETATM   19  C13 UNL     1      -3.406  -0.185   0.780  1.00  0.00           C  
HETATM   20  C14 UNL     1      -2.659  -0.514  -0.321  1.00  0.00           C  
HETATM   21  C15 UNL     1       2.416   0.580  -1.491  1.00  0.00           C  
HETATM   22  O3  UNL     1       1.548   0.135  -2.296  1.00  0.00           O  
HETATM   23  O4  UNL     1       3.556   1.090  -2.087  1.00  0.00           O  
HETATM   24  H1  UNL     1       5.188   1.308   1.063  1.00  0.00           H  
HETATM   25  H2  UNL     1       5.404   3.072   1.243  1.00  0.00           H  
HETATM   26  H3  UNL     1       1.592   2.626   0.252  1.00  0.00           H  
HETATM   27  H4  UNL     1       2.344   1.895   1.677  1.00  0.00           H  
HETATM   28  H5  UNL     1       3.081  -0.057   0.395  1.00  0.00           H  
HETATM   29  H6  UNL     1       0.093   0.354   0.088  1.00  0.00           H  
HETATM   30  H7  UNL     1      -0.857  -1.153   2.304  1.00  0.00           H  
HETATM   31  H8  UNL     1      -0.086  -3.869   1.968  1.00  0.00           H  
HETATM   32  H9  UNL     1       0.982  -2.842   2.884  1.00  0.00           H  
HETATM   33  H10 UNL     1      -0.588  -3.180  -0.001  1.00  0.00           H  
HETATM   34  H11 UNL     1      -1.988  -2.940   1.043  1.00  0.00           H  
HETATM   35  H12 UNL     1      -0.504  -1.931  -2.285  1.00  0.00           H  
HETATM   36  H13 UNL     1      -1.960  -0.040  -3.383  1.00  0.00           H  
HETATM   37  H14 UNL     1      -3.961   1.671  -2.587  1.00  0.00           H  
HETATM   38  H15 UNL     1      -5.317   2.266  -0.583  1.00  0.00           H  
HETATM   39  H16 UNL     1      -4.920   1.038   1.566  1.00  0.00           H  
HETATM   40  H17 UNL     1      -3.227  -0.716   1.693  1.00  0.00           H  
HETATM   41  H18 UNL     1       4.160   0.418  -2.579  1.00  0.00           H  
CONECT    1    2   24   25
CONECT    2    3    3    4
CONECT    4    5   26   27
CONECT    5    6   21   28
CONECT    6    7   29
CONECT    7    8    8    9
CONECT    9   10   11   30
CONECT   10   31   32
CONECT   11   12   33   34
CONECT   12   13   13   20
CONECT   13   14   35
CONECT   14   15   36
CONECT   15   16   16   20
CONECT   16   17   37
CONECT   17   18   18   38
CONECT   18   19   39
CONECT   19   20   20   40
CONECT   21   22   22   23
CONECT   23   41
END

HMDB0029078
     RDKit          3D
Tryptophyl-Asparagine
 41 42  0  0  0  0  0  0  0  0999 V2000
    4.8659    2.2663    0.8846 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726    2.5522    0.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8023    3.3279   -0.8413 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035    1.9332    0.5694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2605    0.5688   -0.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026   -0.0598    0.3784 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9794   -1.2239    1.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124   -1.7090    1.5109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2898   -1.8250    1.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0453   -2.9777    2.4547 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645   -2.3629    0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509   -1.4612   -0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2821   -1.3242   -1.8224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0105   -0.3718   -2.3888 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8803    0.1655   -1.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8239    1.1659   -1.6343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5685    1.4862   -0.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3644    0.8211    0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4062   -0.1846    0.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6592   -0.5135   -0.3214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4161    0.5796   -1.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5478    0.1347   -2.2956 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563    1.0904   -2.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1882    1.3082    1.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042    3.0725    1.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5916    2.6258    0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3436    1.8947    1.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0807   -0.0569    0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0929    0.3543    0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8568   -1.1530    2.3040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0859   -3.8691    1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9824   -2.8422    2.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5881   -3.1797   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9880   -2.9397    1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5038   -1.9308   -2.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9601   -0.0400   -3.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9613    1.6711   -2.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3165    2.2658   -0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9196    1.0384    1.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2275   -0.7160    1.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    0.4184   -2.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
  5 21  1  0
 21 22  2  0
 21 23  1  0
 20 12  1  0
 20 15  1  0
  1 24  1  0
  1 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  6 29  1  0
  9 30  1  0
 10 31  1  0
 10 32  1  0
 11 33  1  0
 11 34  1  0
 13 35  1  0
 14 36  1  0
 16 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 23 41  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
L-Tryptophyl-L-asparagine	HMDB
TRP-Asn	HMDB
Tryptophan asparagine dipeptide	HMDB
Tryptophan-asparagine dipeptide	HMDB
Tryptophylasparagine	HMDB
W-N Dipeptide	HMDB
WN Dipeptide	HMDB
2-{[2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoate	HMDB

Chemical Formula

C₁₅H₁₈N₄O₄

Average Molecular Weight

318.3278

Monoisotopic Molecular Weight

318.132805084

IUPAC Name

2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

Traditional Name

2-[2-amino-3-(1H-indol-3-yl)propanamido]-3-carbamoylpropanoic acid

CAS Registry Number

Not Available

SMILES

NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(N)=O)C(O)=O

InChI Identifier

InChI=1S/C15H18N4O4/c16-10(14(21)19-12(15(22)23)6-13(17)20)5-8-7-18-11-4-2-1-3-9(8)11/h1-4,7,10,12,18H,5-6,16H2,(H2,17,20)(H,19,21)(H,22,23)

InChI Key

GRQCSEWEPIHLBI-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
Asparagine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Triptan
Alpha-amino acid or derivatives
3-alkylindole
Indole
Indole or derivatives
Aralkylamine
Fatty amide
Substituted pyrrole
Fatty acyl
Benzenoid
Heteroaromatic compound
Pyrrole
Secondary carboxylic acid amide
Primary carboxylic acid amide
Amino acid or derivatives
Carboxamide group
Amino acid
Organoheterocyclic compound
Azacycle
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Primary aliphatic amine
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Organonitrogen compound
Carbonyl group
Organooxygen compound
Amine
Primary amine
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	-3.07	Extrapolated

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.6 g/L	ALOGPS
logP	-1.5	ALOGPS
logP	-3.1	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	3.57	ChemAxon
pKa (Strongest Basic)	7.96	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	151.3 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	81.36 m³·mol⁻¹	ChemAxon
Polarizability	32.1 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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]+	173.99	31661259
DarkChem	[M-H]-	171.387	31661259
DeepCCS	[M+H]+	167.906	30932474
DeepCCS	[M-H]-	165.548	30932474
DeepCCS	[M-2H]-	198.434	30932474
DeepCCS	[M+Na]+	173.999	30932474
AllCCS	[M+H]+	172.9	32859911
AllCCS	[M+H-H2O]+	169.9	32859911
AllCCS	[M+NH4]+	175.6	32859911
AllCCS	[M+Na]+	176.4	32859911
AllCCS	[M-H]-	173.9	32859911
AllCCS	[M+Na-2H]-	173.9	32859911
AllCCS	[M+HCOO]-	174.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Tryptophyl-Asparagine	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(N)=O)C(O)=O	4351.2	Standard polar	33892256
Tryptophyl-Asparagine	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(N)=O)C(O)=O	2661.4	Standard non polar	33892256
Tryptophyl-Asparagine	NC(CC1=CNC2=C1C=CC=C2)C(=O)NC(CC(N)=O)C(O)=O	3478.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Tryptophyl-Asparagine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3265.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,1TMS,isomer #2	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O	3346.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,1TMS,isomer #3	C[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O	3335.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,1TMS,isomer #4	C[Si](C)(C)N1C=C(CC(N)C(=O)NC(CC(N)=O)C(=O)O)C2=CC=CC=C21	3288.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,1TMS,isomer #5	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC(N)=O)C(=O)O	3311.9	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3233.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #1	C[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C	2939.8	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #10	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3254.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #10	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3033.3	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #11	C[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3281.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #11	C[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O	3055.8	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CC(N)=O)C(=O)O	3232.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #12	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CC(N)=O)C(=O)O	2939.9	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #2	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C	3236.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #2	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C	2924.4	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3225.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	2885.7	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	3182.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	2892.7	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #5	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3319.9	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #5	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3064.7	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #6	C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C	3397.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #6	C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C	3039.7	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #7	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O	3297.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #7	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O	2989.1	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #8	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C	3283.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #8	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C	2962.2	Standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #9	C[Si](C)(C)N(C(=O)CC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3382.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TMS,isomer #9	C[Si](C)(C)N(C(=O)CC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3087.3	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #1	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3209.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #1	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3030.5	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #10	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3231.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #10	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3139.4	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #11	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3260.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #11	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O	3118.6	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #12	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3373.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #12	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3185.8	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #13	C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C	3352.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #13	C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C	3118.8	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #14	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC(N)=O)C(=O)O	3368.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #14	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC(N)=O)C(=O)O	3108.2	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #15	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C	3233.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #15	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C	3028.0	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #16	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3303.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #16	C[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3144.6	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3339.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #17	C[Si](C)(C)N(C(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C	3153.3	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #18	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3183.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #18	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3074.6	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3263.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3061.2	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #3	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3175.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #3	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3023.4	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	3164.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #4	C[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C	2980.7	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3291.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3069.2	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C	3156.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C	2970.9	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #7	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3185.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #7	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	2988.4	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3155.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	2937.0	Standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #9	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3329.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TMS,isomer #9	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3163.1	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3267.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #1	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3146.1	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3154.9	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3025.3	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #11	C[Si](C)(C)N(C(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3440.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #11	C[Si](C)(C)N(C(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3284.8	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #12	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3322.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #12	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3208.5	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #13	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3292.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #13	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3236.3	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3194.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #14	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3159.0	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #15	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3325.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #15	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3250.6	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #16	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3346.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #16	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3232.4	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC(N)=O)C(=O)O	3355.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #17	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC(N)=O)C(=O)O	3160.2	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3275.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #18	C[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3184.7	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #2	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3179.9	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #2	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3111.0	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #3	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3183.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #3	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)C(=O)O[Si](C)(C)C	3057.1	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #4	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3293.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #4	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3155.6	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3240.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C	3146.6	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	3233.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12	3109.2	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3126.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #7	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3049.8	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3312.4	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3133.9	Standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3251.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TMS,isomer #9	C[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3108.4	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3409.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3277.4	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #10	C[Si](C)(C)N(C(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3443.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #10	C[Si](C)(C)N(C(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3329.7	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #11	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3297.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #11	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C	3263.4	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #12	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3340.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #12	C[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3276.6	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #2	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3255.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #2	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3168.2	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #3	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3275.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #3	C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3236.2	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #4	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3160.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #4	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C)[Si](C)(C)C	3133.7	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #5	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3316.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #5	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3239.5	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #6	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3289.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #6	C[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C	3183.4	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3245.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #7	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C12)[Si](C)(C)C	3168.9	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3325.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #8	C[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3165.6	Standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3444.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TMS,isomer #9	C[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3360.6	Standard non polar	33892256
Tryptophyl-Asparagine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3446.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,6TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3365.6	Standard non polar	33892256
Tryptophyl-Asparagine,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3418.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,6TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)NC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C	3294.7	Standard non polar	33892256
Tryptophyl-Asparagine,6TMS,isomer #3	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3282.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,6TMS,isomer #3	C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C	3256.0	Standard non polar	33892256
Tryptophyl-Asparagine,6TMS,isomer #4	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3338.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,6TMS,isomer #4	C[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3258.0	Standard non polar	33892256
Tryptophyl-Asparagine,6TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3481.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,6TMS,isomer #5	C[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O	3384.2	Standard non polar	33892256
Tryptophyl-Asparagine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3485.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,7TMS,isomer #1	C[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3381.3	Standard non polar	33892256
Tryptophyl-Asparagine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3558.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O	3587.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O	3611.4	Semi standard non polar	33892256
Tryptophyl-Asparagine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N1C=C(CC(N)C(=O)NC(CC(N)=O)C(=O)O)C2=CC=CC=C21	3545.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC(N)=O)C(=O)O	3597.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3747.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3355.0	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3797.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3418.4	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3780.4	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O	3427.0	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CC(N)=O)C(=O)O	3763.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CC(N)=O)C(=O)O	3327.2	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3744.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3366.1	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3762.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3312.3	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3695.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3313.3	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	3806.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	3462.7	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3916.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3437.7	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O	3755.4	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O	3391.0	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3801.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3384.2	Standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3908.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3479.2	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3910.9	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3615.0	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3979.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3683.6	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	3942.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O	3648.2	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4121.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3720.7	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	4072.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3645.9	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(N)=O)C(=O)O	4111.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(N)=O)C(=O)O	3656.2	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3949.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O)[Si](C)(C)C(C)(C)C	3577.9	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4075.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3658.5	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	4045.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C	3679.4	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3938.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3580.9	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	4026.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=C[NH]C2=CC=CC=C12	3636.8	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3934.4	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3585.6	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3851.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C	3534.2	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4067.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3633.8	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3853.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C	3555.1	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3948.9	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3594.5	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3881.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3505.2	Standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4081.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3723.6	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(=O)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	4160.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)NC(CC(=O)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	3853.6	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4031.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3732.6	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)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	4386.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)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	3945.5	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4180.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3859.9	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(=O)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	4233.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(=O)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	3905.6	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4065.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3802.3	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4282.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3907.0	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4242.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3861.9	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(N)=O)C(=O)O	4249.9	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(N)=O)C(=O)O	3801.3	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4180.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	3788.9	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4088.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3828.6	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3982.9	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3731.3	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)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	4243.2	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=C[NH]C2=CC=CC=C12)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	3847.7	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	4190.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=C[NH]C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3813.0	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	4094.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12	3773.0	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	4007.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3711.2	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4262.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3826.6	Standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4169.6	Semi standard non polar	33892256
Tryptophyl-Asparagine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3774.5	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4494.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)NC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4077.0	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)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	4508.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)N(C(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)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	4073.5	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(=O)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	4321.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)N(C(CC(=O)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	4020.5	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4394.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4020.7	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(=O)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	4224.3	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)NC(CC(=O)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	3958.5	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(=O)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)[Si](C)(C)C(C)(C)C	4334.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)N(C(CC(=O)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)[Si](C)(C)C(C)(C)C	4063.5	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4142.0	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3929.6	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4395.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4057.3	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)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	4319.8	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(=O)CC(NC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)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	3959.2	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	4267.1	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)[Si](C)(C)C(C)(C)C	3943.8	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4362.5	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(CC(N)=O)N(C(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3962.3	Standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4545.7	Semi standard non polar	33892256
Tryptophyl-Asparagine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N(C(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O	4122.4	Standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Asparagine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0016-9831000000-07d9ecaf02e14ac6436f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Asparagine GC-MS (1 TMS) - 70eV, Positive	splash10-000x-9344000000-c4bb7f2fcc7c4bb70fd5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Tryptophyl-Asparagine 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 - Tryptophyl-Asparagine 10V, Positive-QTOF	splash10-1000-0539000000-b501b9bff3eae84b4a0f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 20V, Positive-QTOF	splash10-0a4l-2921000000-bd4eb8f578c8df97b48b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 40V, Positive-QTOF	splash10-001l-2900000000-6d05b7baf8787da49d59	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 10V, Negative-QTOF	splash10-014i-0159000000-4588b2f997a409387ce1	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 20V, Negative-QTOF	splash10-0fdo-8693000000-b346e21ff0f26be6c5d8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 40V, Negative-QTOF	splash10-0006-9400000000-1c28bfa911607608d3b0	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 10V, Negative-QTOF	splash10-00kb-0293000000-415df27cea01a84642ca	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 20V, Negative-QTOF	splash10-03el-8911000000-977f177a95129d29ed12	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 40V, Negative-QTOF	splash10-0006-9600000000-048e8e9d699470577a34	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 10V, Positive-QTOF	splash10-014i-0129000000-588affc7fcc42413fe15	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 20V, Positive-QTOF	splash10-052f-0910000000-09e339d999548085bb3e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Tryptophyl-Asparagine 40V, Positive-QTOF	splash10-00kf-1910000000-116344c1afab7cd223c5	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

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

FDB112083

KNApSAcK ID

Not Available

Chemspider ID

16568398

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

18218248

PDB ID

Not Available

ChEBI ID

175077

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

Not Available

Showing metabocard for Tryptophyl-Asparagine (HMDB0029078)

MOL for HMDB0029078 (Tryptophyl-Asparagine)

3D MOL for HMDB0029078 (Tryptophyl-Asparagine)

3D SDF for HMDB0029078 (Tryptophyl-Asparagine)

3D-SDF for HMDB0029078 (Tryptophyl-Asparagine)

PDB for HMDB0029078 (Tryptophyl-Asparagine)

3D PDB for HMDB0029078 (Tryptophyl-Asparagine)

SMILES for HMDB0029078 (Tryptophyl-Asparagine)

INCHI for HMDB0029078 (Tryptophyl-Asparagine)

Structure for HMDB0029078 (Tryptophyl-Asparagine)

3D Structure for HMDB0029078 (Tryptophyl-Asparagine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra