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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 10:55:07 UTC

Update Date

2021-09-26 23:05:41 UTC

HMDB ID

HMDB0252827

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Glycylphenylalanylleucylglycine

Description

Glycylphenylalanylleucylglycine belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review a significant number of articles have been published on Glycylphenylalanylleucylglycine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Glycylphenylalanylleucylglycine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Glycylphenylalanylleucylglycine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309112112552D          

 28 28  0  0  0  0            999 V2000
    4.3974   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -4.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -4.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -5.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -5.4730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -6.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -5.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -4.7586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -3.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -2.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -2.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -4.7586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -5.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -5.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -6.9020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  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
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END

HMDB0252827
     RDKit          3D
Glycylphenylalanylleucylglycine
 56 56  0  0  0  0  0  0  0  0999 V2000
   -2.5063    1.2068   -2.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4925   -0.2836   -2.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4119   -0.9588   -3.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9515   -0.6860   -1.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -0.1577   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7599   -0.5700   -0.1082 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352    0.2884    0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    1.3837    0.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859   -0.1317    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387    0.2932   -1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5134   -0.0531   -1.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5307    0.8197   -1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8694    0.4948   -1.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1522   -0.7381   -1.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499   -1.6380   -2.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738   -1.2814   -1.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    0.5401    1.4479 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6145    1.9062    1.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449    2.7337    0.7556 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    2.3929    2.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6806    1.2791    3.6815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7326   -0.7641    1.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -1.4179    1.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1225   -0.6093    1.5252 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6297   -1.2185    2.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0663   -0.9556    2.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6828   -0.3063    1.9745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7978   -1.4130    3.9649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335    1.4859   -3.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595    1.5658   -2.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9702    1.7198   -1.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704   -0.7201   -2.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5342   -2.0118   -3.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995   -0.4798   -3.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668   -0.8376   -4.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852   -1.7834   -1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9886   -0.2737   -1.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107    0.9298    0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5374   -1.4764   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7030   -1.2153    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584    1.3927   -1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4683   -0.2056   -1.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3965    1.8179   -0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6929    1.1599   -1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1885   -1.0319   -2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4056   -2.6167   -2.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573   -1.9540   -2.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159   -0.0898    2.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    3.1392    3.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2914    2.9092    2.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.9171    3.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3771    1.4161    4.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7894   -0.0906    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4430   -2.3027    2.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1197   -0.7378    3.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8440   -0.7812    4.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 16 11  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  0
  6 39  1  0
  9 40  1  0
 10 41  1  0
 10 42  1  0
 12 43  1  0
 13 44  1  0
 14 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 20 49  1  0
 20 50  1  0
 21 51  1  0
 21 52  1  0
 24 53  1  0
 25 54  1  0
 25 55  1  0
 28 56  1  0
M  END

  Mrv1652309112112552D          

 28 28  0  0  0  0            999 V2000
    4.3974   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -4.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -4.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6349   -5.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -5.4730    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -6.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599   -5.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -4.7586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8724   -3.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -2.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -2.6151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974   -3.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599   -4.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -4.7586    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -5.4730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -5.4730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1099   -6.9020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  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
 10 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252827

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)NCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H28N4O5/c1-12(2)8-14(18(27)21-11-17(25)26)23-19(28)15(22-16(24)10-20)9-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,20H2,1-2H3,(H,21,27)(H,22,24)(H,23,28)(H,25,26)

> <INCHI_KEY>
WEZDRVHTDXTVLT-UHFFFAOYSA-N

> <FORMULA>
C19H28N4O5

> <MOLECULAR_WEIGHT>
392.456

> <EXACT_MASS>
392.205970018

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
40.89358414475073

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{2-[2-(2-aminoacetamido)-3-phenylpropanamido]-4-methylpentanamido}acetic acid

> <ALOGPS_LOGP>
-0.68

> <JCHEM_LOGP>
-2.680356259332675

> <ALOGPS_LOGS>
-3.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.249687868110417

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.649556259539991

> <JCHEM_PKA_STRONGEST_BASIC>
7.838654214471598

> <JCHEM_POLAR_SURFACE_AREA>
150.62

> <JCHEM_REFRACTIVITY>
101.69430000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.11e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{2-[2-(2-aminoacetamido)-3-phenylpropanamido]-4-methylpentanamido}acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0252827
     RDKit          3D
Glycylphenylalanylleucylglycine
 56 56  0  0  0  0  0  0  0  0999 V2000
   -2.5063    1.2068   -2.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4925   -0.2836   -2.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4119   -0.9588   -3.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9515   -0.6860   -1.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -0.1577   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7599   -0.5700   -0.1082 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352    0.2884    0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    1.3837    0.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859   -0.1317    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387    0.2932   -1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5134   -0.0531   -1.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5307    0.8197   -1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8694    0.4948   -1.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1522   -0.7381   -1.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499   -1.6380   -2.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738   -1.2814   -1.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    0.5401    1.4479 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6145    1.9062    1.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449    2.7337    0.7556 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    2.3929    2.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6806    1.2791    3.6815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7326   -0.7641    1.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -1.4179    1.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1225   -0.6093    1.5252 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6297   -1.2185    2.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0663   -0.9556    2.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6828   -0.3063    1.9745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7978   -1.4130    3.9649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335    1.4859   -3.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595    1.5658   -2.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9702    1.7198   -1.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704   -0.7201   -2.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5342   -2.0118   -3.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995   -0.4798   -3.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668   -0.8376   -4.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852   -1.7834   -1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9886   -0.2737   -1.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107    0.9298    0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5374   -1.4764   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7030   -1.2153    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584    1.3927   -1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4683   -0.2056   -1.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3965    1.8179   -0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6929    1.1599   -1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1885   -1.0319   -2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4056   -2.6167   -2.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573   -1.9540   -2.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159   -0.0898    2.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    3.1392    3.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2914    2.9092    2.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.9171    3.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3771    1.4161    4.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7894   -0.0906    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4430   -2.3027    2.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1197   -0.7378    3.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8440   -0.7812    4.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 16 11  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  0
  6 39  1  0
  9 40  1  0
 10 41  1  0
 10 42  1  0
 12 43  1  0
 13 44  1  0
 14 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 20 49  1  0
 20 50  1  0
 21 51  1  0
 21 52  1  0
 24 53  1  0
 25 54  1  0
 25 55  1  0
 28 56  1  0
M  END

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       8.208  -6.215   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.978  -7.549   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.208  -8.883   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.518  -7.549   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.288  -8.883   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.518 -10.216   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      11.288 -11.550   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0       8.978 -10.216   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       8.208 -11.550   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       5.898 -12.884   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       5.898 -10.216   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0      12.828  -8.883   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      13.598  -7.549   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      12.828  -6.215   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      15.138  -7.549   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.908  -6.215   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      17.448  -6.215   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.218  -4.882   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      19.758  -4.882   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      20.528  -6.215   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      19.758  -7.549   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      18.218  -7.549   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      15.908  -8.883   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0      15.138 -10.216   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      13.598 -10.216   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      15.908 -11.550   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0      15.138 -12.884   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   13                                                  
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    5   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   24                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   23                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   18                                                       
CONECT   24   16   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   56    0
END

COMPND    HMDB0252827
HETATM    1  C1  UNL     1      -2.506   1.207  -2.720  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.493  -0.284  -2.547  1.00  0.00           C  
HETATM    3  C3  UNL     1      -3.412  -0.959  -3.569  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.952  -0.686  -1.186  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.143  -0.158  -0.054  1.00  0.00           C  
HETATM    6  N1  UNL     1      -0.760  -0.570  -0.108  1.00  0.00           N  
HETATM    7  C6  UNL     1       0.235   0.288   0.431  1.00  0.00           C  
HETATM    8  O1  UNL     1      -0.003   1.384   0.959  1.00  0.00           O  
HETATM    9  C7  UNL     1       1.686  -0.132   0.381  1.00  0.00           C  
HETATM   10  C8  UNL     1       2.139   0.293  -1.001  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.513  -0.053  -1.312  1.00  0.00           C  
HETATM   12  C10 UNL     1       4.531   0.820  -1.054  1.00  0.00           C  
HETATM   13  C11 UNL     1       5.869   0.495  -1.329  1.00  0.00           C  
HETATM   14  C12 UNL     1       6.152  -0.738  -1.874  1.00  0.00           C  
HETATM   15  C13 UNL     1       5.150  -1.638  -2.146  1.00  0.00           C  
HETATM   16  C14 UNL     1       3.874  -1.281  -1.863  1.00  0.00           C  
HETATM   17  N2  UNL     1       2.358   0.540   1.448  1.00  0.00           N  
HETATM   18  C15 UNL     1       2.615   1.906   1.604  1.00  0.00           C  
HETATM   19  O2  UNL     1       2.245   2.734   0.756  1.00  0.00           O  
HETATM   20  C16 UNL     1       3.339   2.393   2.797  1.00  0.00           C  
HETATM   21  N3  UNL     1       3.681   1.279   3.682  1.00  0.00           N  
HETATM   22  C17 UNL     1      -2.733  -0.764   1.205  1.00  0.00           C  
HETATM   23  O3  UNL     1      -2.024  -1.418   1.997  1.00  0.00           O  
HETATM   24  N4  UNL     1      -4.122  -0.609   1.525  1.00  0.00           N  
HETATM   25  C18 UNL     1      -4.630  -1.218   2.763  1.00  0.00           C  
HETATM   26  C19 UNL     1      -6.066  -0.956   2.870  1.00  0.00           C  
HETATM   27  O4  UNL     1      -6.683  -0.306   1.974  1.00  0.00           O  
HETATM   28  O5  UNL     1      -6.798  -1.413   3.965  1.00  0.00           O  
HETATM   29  H1  UNL     1      -3.033   1.486  -3.665  1.00  0.00           H  
HETATM   30  H2  UNL     1      -1.460   1.566  -2.796  1.00  0.00           H  
HETATM   31  H3  UNL     1      -2.970   1.720  -1.836  1.00  0.00           H  
HETATM   32  H4  UNL     1      -1.470  -0.720  -2.739  1.00  0.00           H  
HETATM   33  H5  UNL     1      -3.534  -2.012  -3.290  1.00  0.00           H  
HETATM   34  H6  UNL     1      -4.400  -0.480  -3.577  1.00  0.00           H  
HETATM   35  H7  UNL     1      -2.867  -0.838  -4.545  1.00  0.00           H  
HETATM   36  H8  UNL     1      -3.085  -1.783  -1.102  1.00  0.00           H  
HETATM   37  H9  UNL     1      -3.989  -0.274  -1.057  1.00  0.00           H  
HETATM   38  H10 UNL     1      -2.211   0.930   0.122  1.00  0.00           H  
HETATM   39  H11 UNL     1      -0.537  -1.476  -0.542  1.00  0.00           H  
HETATM   40  H12 UNL     1       1.703  -1.215   0.429  1.00  0.00           H  
HETATM   41  H13 UNL     1       1.958   1.393  -1.140  1.00  0.00           H  
HETATM   42  H14 UNL     1       1.468  -0.206  -1.723  1.00  0.00           H  
HETATM   43  H15 UNL     1       4.396   1.818  -0.633  1.00  0.00           H  
HETATM   44  H16 UNL     1       6.693   1.160  -1.132  1.00  0.00           H  
HETATM   45  H17 UNL     1       7.189  -1.032  -2.105  1.00  0.00           H  
HETATM   46  H18 UNL     1       5.406  -2.617  -2.582  1.00  0.00           H  
HETATM   47  H19 UNL     1       3.057  -1.954  -2.062  1.00  0.00           H  
HETATM   48  H20 UNL     1       2.716  -0.090   2.242  1.00  0.00           H  
HETATM   49  H21 UNL     1       2.803   3.139   3.395  1.00  0.00           H  
HETATM   50  H22 UNL     1       4.291   2.909   2.475  1.00  0.00           H  
HETATM   51  H23 UNL     1       4.632   0.917   3.543  1.00  0.00           H  
HETATM   52  H24 UNL     1       3.377   1.416   4.652  1.00  0.00           H  
HETATM   53  H25 UNL     1      -4.789  -0.091   0.930  1.00  0.00           H  
HETATM   54  H26 UNL     1      -4.443  -2.303   2.735  1.00  0.00           H  
HETATM   55  H27 UNL     1      -4.120  -0.738   3.639  1.00  0.00           H  
HETATM   56  H28 UNL     1      -6.844  -0.781   4.773  1.00  0.00           H  
CONECT    1    2   29   30   31
CONECT    2    3    4   32
CONECT    3   33   34   35
CONECT    4    5   36   37
CONECT    5    6   22   38
CONECT    6    7   39
CONECT    7    8    8    9
CONECT    9   10   17   40
CONECT   10   11   41   42
CONECT   11   12   12   16
CONECT   12   13   43
CONECT   13   14   14   44
CONECT   14   15   45
CONECT   15   16   16   46
CONECT   16   47
CONECT   17   18   48
CONECT   18   19   19   20
CONECT   20   21   49   50
CONECT   21   51   52
CONECT   22   23   23   24
CONECT   24   25   53
CONECT   25   26   54   55
CONECT   26   27   27   28
CONECT   28   56
END

HMDB0252827
     RDKit          3D
Glycylphenylalanylleucylglycine
 56 56  0  0  0  0  0  0  0  0999 V2000
   -2.5063    1.2068   -2.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4925   -0.2836   -2.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4119   -0.9588   -3.5693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9515   -0.6860   -1.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1427   -0.1577   -0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7599   -0.5700   -0.1082 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352    0.2884    0.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    1.3837    0.9590 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859   -0.1317    0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387    0.2932   -1.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5134   -0.0531   -1.3117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5307    0.8197   -1.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8694    0.4948   -1.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1522   -0.7381   -1.8742 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1499   -1.6380   -2.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8738   -1.2814   -1.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583    0.5401    1.4479 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6145    1.9062    1.6044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2449    2.7337    0.7556 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3391    2.3929    2.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6806    1.2791    3.6815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7326   -0.7641    1.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0241   -1.4179    1.9972 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1225   -0.6093    1.5252 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6297   -1.2185    2.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0663   -0.9556    2.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6828   -0.3063    1.9745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7978   -1.4130    3.9649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335    1.4859   -3.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4595    1.5658   -2.7961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9702    1.7198   -1.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4704   -0.7201   -2.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5342   -2.0118   -3.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995   -0.4798   -3.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668   -0.8376   -4.5452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852   -1.7834   -1.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9886   -0.2737   -1.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107    0.9298    0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5374   -1.4764   -0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7030   -1.2153    0.4288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584    1.3927   -1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4683   -0.2056   -1.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3965    1.8179   -0.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6929    1.1599   -1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1885   -1.0319   -2.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4056   -2.6167   -2.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573   -1.9540   -2.0623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7159   -0.0898    2.2418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    3.1392    3.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2914    2.9092    2.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    0.9171    3.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3771    1.4161    4.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7894   -0.0906    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4430   -2.3027    2.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1197   -0.7378    3.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8440   -0.7812    4.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 16 11  1  0
  1 29  1  0
  1 30  1  0
  1 31  1  0
  2 32  1  0
  3 33  1  0
  3 34  1  0
  3 35  1  0
  4 36  1  0
  4 37  1  0
  5 38  1  0
  6 39  1  0
  9 40  1  0
 10 41  1  0
 10 42  1  0
 12 43  1  0
 13 44  1  0
 14 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 20 49  1  0
 20 50  1  0
 21 51  1  0
 21 52  1  0
 24 53  1  0
 25 54  1  0
 25 55  1  0
 28 56  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₉H₂₈N₄O₅

Average Molecular Weight

392.456

Monoisotopic Molecular Weight

392.205970018

IUPAC Name

2-{2-[2-(2-aminoacetamido)-3-phenylpropanamido]-4-methylpentanamido}acetic acid

Traditional Name

{2-[2-(2-aminoacetamido)-3-phenylpropanamido]-4-methylpentanamido}acetic acid

CAS Registry Number

Not Available

SMILES

CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)NCC(O)=O

InChI Identifier

InChI=1S/C19H28N4O5/c1-12(2)8-14(18(27)21-11-17(25)26)23-19(28)15(22-16(24)10-20)9-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11,20H2,1-2H3,(H,21,27)(H,22,24)(H,23,28)(H,25,26)

InChI Key

WEZDRVHTDXTVLT-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Phenylalanine or derivatives
Leucine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
Monocyclic benzene moiety
Fatty amide
N-acyl-amine
Fatty acyl
Benzenoid
Amino acid or derivatives
Secondary carboxylic acid amide
Amino acid
Carboxamide group
Monocarboxylic acid or derivatives
Carboxylic acid
Amine
Organic oxygen compound
Primary aliphatic amine
Carbonyl group
Organic nitrogen compound
Organic oxide
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.68	ALOGPS
logP	-2.7	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	3.65	ChemAxon
pKa (Strongest Basic)	7.84	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	150.62 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	101.69 m³·mol⁻¹	ChemAxon
Polarizability	40.89 Å³	ChemAxon
Number of Rings	1	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
DeepCCS	[M+H]+	203.26	30932474
DeepCCS	[M-H]-	200.586	30932474
DeepCCS	[M-2H]-	235.506	30932474
DeepCCS	[M+Na]+	211.796	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Glycylphenylalanylleucylglycine	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)NCC(O)=O	4138.0	Standard polar	33892256
Glycylphenylalanylleucylglycine	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)NCC(O)=O	2390.5	Standard non polar	33892256
Glycylphenylalanylleucylglycine	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)NCC(O)=O	3314.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Glycylphenylalanylleucylglycine,2TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3214.3	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3074.8	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4473.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3109.2	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3032.2	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4741.2	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3133.1	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3066.4	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4685.6	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C	3120.9	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C	2989.1	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C	4914.3	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3096.7	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3040.8	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4735.8	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3143.7	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3010.7	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4909.7	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #5	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	3239.8	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #5	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	3049.2	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #5	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4487.7	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3231.9	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3103.3	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	4507.1	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3383.0	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3179.0	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	4563.3	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #8	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3243.3	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #8	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3096.5	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #8	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4457.4	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C	3157.4	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C	3017.8	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C	4863.7	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #1	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	3147.9	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #1	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	3109.5	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #1	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4152.9	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3327.3	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3208.4	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4261.0	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3332.8	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	3218.1	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O	4290.0	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #12	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3162.8	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #12	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3183.0	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #12	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4192.7	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3348.0	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3241.1	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4244.6	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #14	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3084.8	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #14	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3101.3	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #14	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4453.3	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3147.9	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3149.8	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4185.6	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3312.5	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3210.9	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	4243.7	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3153.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3122.2	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4169.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #5	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C	3084.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #5	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C	3059.2	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #5	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C	4615.3	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #6	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3039.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #6	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3067.3	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #6	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4477.0	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3031.7	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3083.8	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	4469.0	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	3173.2	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	3142.7	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	4180.9	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #9	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3169.3	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #9	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3147.8	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TMS,isomer #9	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4221.6	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	3118.7	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	3177.9	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C)[Si](C)(C)C	3895.3	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3319.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3269.2	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	4031.9	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3325.7	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	3296.4	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C	4012.0	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3110.5	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3198.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3906.9	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #3	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3285.1	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #3	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3251.5	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #3	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3955.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3322.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3254.8	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C	3993.1	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3094.0	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3208.1	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3914.6	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3290.1	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3258.7	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3974.2	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #7	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3031.8	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #7	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	3136.2	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #7	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C)[Si](C)(C)C	4268.2	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3134.3	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3234.5	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3946.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3317.3	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3289.7	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3990.3	Standard polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3101.7	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3273.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3695.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #2	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3304.7	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #2	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3322.0	Standard non polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #2	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3743.1	Standard polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #3	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3327.1	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #3	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3311.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #3	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3759.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3318.5	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3320.0	Standard non polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C	3769.2	Standard polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #5	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3335.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #5	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3354.5	Standard non polar	33892256
Glycylphenylalanylleucylglycine,5TMS,isomer #5	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3809.6	Standard polar	33892256
Glycylphenylalanylleucylglycine,6TMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3321.5	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,6TMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3400.2	Standard non polar	33892256
Glycylphenylalanylleucylglycine,6TMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	3590.9	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3692.9	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3423.4	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #1	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4486.7	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3612.5	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3349.7	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4703.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3637.7	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3367.4	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4675.3	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	3648.0	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	3326.4	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	4816.4	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3626.5	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3352.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4700.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3640.4	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3349.2	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4827.9	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #5	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3706.2	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #5	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3393.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #5	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4491.0	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3713.8	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3418.4	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4508.7	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3828.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3476.1	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4548.9	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #8	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3704.2	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #8	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3424.3	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #8	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4487.2	Standard polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	3655.9	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	3347.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,2TBDMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	4797.8	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #1	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3834.1	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #1	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3582.4	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #1	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4259.7	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4021.3	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3652.9	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4326.0	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4027.5	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	3648.5	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O	4353.2	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #12	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3880.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #12	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3618.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #12	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4310.8	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4036.4	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3663.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #13	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4329.9	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #14	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3806.4	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #14	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3551.0	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #14	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4535.9	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3848.1	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3593.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #2	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4286.0	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4008.5	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3648.0	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #3	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4312.4	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3845.2	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3595.0	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4284.4	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #5	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	3810.0	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #5	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	3537.8	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #5	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN)[Si](C)(C)C(C)(C)C	4618.1	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #6	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3785.0	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #6	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3515.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #6	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4521.8	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3808.8	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3524.3	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #7	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4523.4	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3851.3	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3608.1	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4304.7	Standard polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #9	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3845.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #9	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3606.2	Standard non polar	33892256
Glycylphenylalanylleucylglycine,3TBDMS,isomer #9	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4323.9	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3970.2	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3793.0	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #1	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4107.2	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4194.8	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3839.5	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #10	CC(C)CC(C(=O)NCC(=O)O)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4184.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4212.5	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	3838.3	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #11	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C	4174.2	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3976.3	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3784.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #2	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4103.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #3	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4178.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #3	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3825.5	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #3	CC(C)CC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4104.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4186.2	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	3810.0	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #4	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C	4141.1	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3999.1	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3787.0	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #5	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4115.2	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4187.8	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3826.1	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #6	CC(C)CC(NC(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4131.4	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #7	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3957.0	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #7	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3729.6	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #7	CC(C)CC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4382.5	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4016.6	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3815.9	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #8	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)N(C(=O)CN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4161.1	Standard polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4206.4	Semi standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3854.2	Standard non polar	33892256
Glycylphenylalanylleucylglycine,4TBDMS,isomer #9	CC(C)CC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)C(CC1=CC=CC=C1)NC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4158.7	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (Non-derivatized) - 70eV, Positive	splash10-003u-9312000000-c28ba6092f925623cc10	2021-09-24	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (TBDMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (TBDMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (TBDMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (TBDMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Glycylphenylalanylleucylglycine GC-MS (TBDMS_1_5) - 70eV, Positive	Not Available	2021-11-04	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 - Glycylphenylalanylleucylglycine 10V, Positive-QTOF	splash10-0006-0019000000-6401c19f54104bea09d8	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylphenylalanylleucylglycine 20V, Positive-QTOF	splash10-0006-0090000000-961569272c74e25813cb	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylphenylalanylleucylglycine 40V, Positive-QTOF	splash10-0059-5950000000-c252958c68b99b56eb76	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylphenylalanylleucylglycine 10V, Negative-QTOF	splash10-006x-0019000000-091dd04902420506297a	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylphenylalanylleucylglycine 20V, Negative-QTOF	splash10-006x-4295000000-e972aafc8207fbbeda6b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Glycylphenylalanylleucylglycine 40V, Negative-QTOF	splash10-00di-9720000000-5270f75c67b5389e7b59	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)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

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

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

10619218

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21873138

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Glycylphenylalanylleucylglycine (HMDB0252827)

MOL for HMDB0252827 (Glycylphenylalanylleucylglycine)

3D MOL for HMDB0252827 (Glycylphenylalanylleucylglycine)

3D SDF for HMDB0252827 (Glycylphenylalanylleucylglycine)

3D-SDF for HMDB0252827 (Glycylphenylalanylleucylglycine)

PDB for HMDB0252827 (Glycylphenylalanylleucylglycine)

3D PDB for HMDB0252827 (Glycylphenylalanylleucylglycine)

SMILES for HMDB0252827 (Glycylphenylalanylleucylglycine)

INCHI for HMDB0252827 (Glycylphenylalanylleucylglycine)

Structure for HMDB0252827 (Glycylphenylalanylleucylglycine)

3D Structure for HMDB0252827 (Glycylphenylalanylleucylglycine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra