Hmdb loader

Showing metabocard for gamma-Glutamylfelinylglycine (HMDB0252619)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 10:32:51 UTC
Update Date2021-09-26 23:05:19 UTC
HMDB IDHMDB0252619
Secondary Accession NumbersNone
Metabolite Identification
Common Namegamma-Glutamylfelinylglycine
DescriptionSCHEMBL12063254 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 very few articles have been published on SCHEMBL12063254. This compound has been identified in human blood as reported by (PMID: 31557052 ). Gamma-glutamylfelinylglycine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically gamma-Glutamylfelinylglycine 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0252619 (gamma-Glutamylfelinylglycine)


  Mrv1652309112112332D          

 26 25  0  0  0  0            999 V2000
   -0.3522    7.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    8.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    8.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1573    8.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6528    9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229    9.8088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974    7.3142    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    7.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776    6.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    5.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    5.9110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    4.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675    4.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    3.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974    2.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877    6.2228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    5.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    4.8196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679    5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481    4.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283    3.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    2.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882    4.9755    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
  2  7  1  0  0  0  0
  7  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
 12 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
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
Download

3D MOL for HMDB0252619 (gamma-Glutamylfelinylglycine)

HMDB0252619
     RDKit          3D
gamma-Glutamylfelinylglycine
 53 52  0  0  0  0  0  0  0  0999 V2000
   -2.9807   -0.6520    2.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2055   -0.9530    0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2707   -0.0525    0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6540   -2.3818    0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340   -3.3695    1.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1248   -4.6507    0.9505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6591   -0.6025   -0.0212 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3879    1.2048    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0968    1.5890   -0.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0175    0.9065    0.0044 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180    0.0265   -0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5353   -0.1484   -1.9704 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9760   -0.7037   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6006   -1.5537   -1.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7990   -2.3282   -0.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3977   -3.1994    0.3363 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2650   -3.1796   -1.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752   -2.6559   -2.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670   -4.5562   -1.8052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    3.0439   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0949    3.4667    0.1817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475    4.0084   -0.9039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    5.4259   -0.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975    5.7599    0.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015    4.8629    1.6057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225    7.0583    1.1432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9602    0.4742    2.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690   -1.0286    2.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9876   -0.9972    2.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2829   -0.3914    0.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1166   -0.1049   -0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0898    1.0208    0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9174   -2.5416   -0.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5704   -2.5125    1.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743   -3.1343    2.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100   -3.2290    0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8633   -4.6873    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2308    1.7654   -0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402    1.5150    1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.3303   -1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2357    1.0614    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   -1.4184    0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846   -0.0806    0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903   -2.2913   -1.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9618   -0.9498   -2.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862   -1.6279   -0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0434   -3.9834    0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861   -2.7020    1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6986   -5.1071   -1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6992    3.6807   -1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5220    5.9556   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937    5.7360   -1.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615    7.8823    0.6037 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
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17 19  1  0
  9 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
  6 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
 10 41  1  0
 13 42  1  0
 13 43  1  0
 14 44  1  0
 14 45  1  0
 15 46  1  0
 16 47  1  0
 16 48  1  0
 19 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 26 53  1  0
M  END
Download

3D SDF for HMDB0252619 (gamma-Glutamylfelinylglycine)


  Mrv1652309112112332D          

 26 25  0  0  0  0            999 V2000
   -0.3522    7.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    8.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2069    8.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1573    8.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6528    9.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9229    9.8088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974    7.3142    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    7.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7776    6.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    5.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4274    5.9110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5075    4.9755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675    4.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0476    3.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6974    2.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877    6.2228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    5.4433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3177    4.8196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6679    5.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    4.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7481    4.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0181    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8283    3.4164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4780    2.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882    4.9755    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
  2  7  1  0  0  0  0
  7  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
 12 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
  9 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 22 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252619

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)(CCO)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H27N3O7S/c1-15(2,5-6-19)26-8-10(13(23)17-7-12(21)22)18-11(20)4-3-9(16)14(24)25/h9-10,19H,3-8,16H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)

> <INCHI_KEY>
IWZOUBIWPYHNIH-UHFFFAOYSA-N

> <FORMULA>
C15H27N3O7S

> <MOLECULAR_WEIGHT>
393.46

> <EXACT_MASS>
393.156971395

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
39.88781702526205

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-[(4-hydroxy-2-methylbutan-2-yl)sulfanyl]ethyl}carbamoyl)butanoic acid

> <ALOGPS_LOGP>
-2.68

> <JCHEM_LOGP>
-4.717082756210665

> <ALOGPS_LOGS>
-2.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.8869912242353752

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8085391643394662

> <JCHEM_PKA_STRONGEST_BASIC>
9.311623122094787

> <JCHEM_POLAR_SURFACE_AREA>
179.05

> <JCHEM_REFRACTIVITY>
94.12819999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-4-{[1-(carboxymethylcarbamoyl)-2-[(4-hydroxy-2-methylbutan-2-yl)sulfanyl]ethyl]carbamoyl}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0252619 (gamma-Glutamylfelinylglycine)

HMDB0252619
     RDKit          3D
gamma-Glutamylfelinylglycine
 53 52  0  0  0  0  0  0  0  0999 V2000
   -2.9807   -0.6520    2.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2055   -0.9530    0.8408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2707   -0.0525    0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6540   -2.3818    0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6340   -3.3695    1.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1248   -4.6507    0.9505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6591   -0.6025   -0.0212 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3879    1.2048    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0968    1.5890   -0.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0175    0.9065    0.0044 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8180    0.0265   -0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5353   -0.1484   -1.9704 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9760   -0.7037   -0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6006   -1.5537   -1.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7990   -2.3282   -0.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3977   -3.1994    0.3363 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2650   -3.1796   -1.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6752   -2.6559   -2.9611 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670   -4.5562   -1.8052 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828    3.0439   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0949    3.4667    0.1817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8475    4.0084   -0.9039 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6625    5.4259   -0.7236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5975    5.7599    0.7357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015    4.8629    1.6057 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4225    7.0583    1.1432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9602    0.4742    2.3804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7690   -1.0286    2.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9876   -0.9972    2.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2829   -0.3914    0.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1166   -0.1049   -0.8692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0898    1.0208    0.5007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9174   -2.5416   -0.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5704   -2.5125    1.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743   -3.1343    2.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7100   -3.2290    0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8633   -4.6873    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2308    1.7654   -0.3498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3402    1.5150    1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2125    1.3303   -1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2357    1.0614    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5432   -1.4184    0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6846   -0.0806    0.3475 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903   -2.2913   -1.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9618   -0.9498   -2.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5862   -1.6279   -0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0434   -3.9834    0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0861   -2.7020    1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6986   -5.1071   -1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6992    3.6807   -1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5220    5.9556   -1.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2937    5.7360   -1.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5615    7.8823    0.6037 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
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 17 19  1  0
  9 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  3 32  1  0
  4 33  1  0
  4 34  1  0
  5 35  1  0
  5 36  1  0
  6 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
 10 41  1  0
 13 42  1  0
 13 43  1  0
 14 44  1  0
 14 45  1  0
 15 46  1  0
 16 47  1  0
 16 48  1  0
 19 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 26 53  1  0
M  END
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PDB for HMDB0252619 (gamma-Glutamylfelinylglycine)

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      -0.657  14.604   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.798  15.108   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.253  15.612   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.294  16.564   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.219  16.855   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.723  18.310   0.000  0.00  0.00           O+0
HETATM    7  S   UNK     0       1.302  13.653   0.000  0.00  0.00           S+0
HETATM    8  C   UNK     0       2.814  13.362   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.318  11.907   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.310  10.743   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.798  11.034   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0       2.814   9.288   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0       1.806   8.124   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.310   6.668   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       3.822   6.377   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       1.302   5.504   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0       4.830  11.616   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0       5.334  10.161   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       4.326   8.997   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.847   9.870   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.351   8.415   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       8.863   8.124   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.367   6.668   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      10.879   6.377   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       8.359   5.504   0.000  0.00  0.00           O+0
HETATM   26  N   UNK     0       9.871   9.288   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    4    7                                             
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5                                                            
CONECT    7    2    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   17                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    9   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   26                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   22                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   50    0
END
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3D PDB for HMDB0252619 (gamma-Glutamylfelinylglycine)

COMPND    HMDB0252619
HETATM    1  C1  UNL     1      -2.981  -0.652   2.310  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.206  -0.953   0.841  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.271  -0.053   0.248  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.654  -2.382   0.650  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.634  -3.369   1.164  1.00  0.00           C  
HETATM    6  O1  UNL     1      -3.125  -4.651   0.950  1.00  0.00           O  
HETATM    7  S1  UNL     1      -1.659  -0.602  -0.021  1.00  0.00           S  
HETATM    8  C6  UNL     1      -1.388   1.205   0.106  1.00  0.00           C  
HETATM    9  C7  UNL     1      -0.097   1.589  -0.600  1.00  0.00           C  
HETATM   10  N1  UNL     1       1.018   0.907   0.004  1.00  0.00           N  
HETATM   11  C8  UNL     1       1.818   0.026  -0.754  1.00  0.00           C  
HETATM   12  O2  UNL     1       1.535  -0.148  -1.970  1.00  0.00           O  
HETATM   13  C9  UNL     1       2.976  -0.704  -0.194  1.00  0.00           C  
HETATM   14  C10 UNL     1       3.601  -1.554  -1.261  1.00  0.00           C  
HETATM   15  C11 UNL     1       4.799  -2.328  -0.746  1.00  0.00           C  
HETATM   16  N2  UNL     1       4.398  -3.199   0.336  1.00  0.00           N  
HETATM   17  C12 UNL     1       5.265  -3.180  -1.883  1.00  0.00           C  
HETATM   18  O3  UNL     1       5.675  -2.656  -2.961  1.00  0.00           O  
HETATM   19  O4  UNL     1       5.267  -4.556  -1.805  1.00  0.00           O  
HETATM   20  C13 UNL     1       0.083   3.044  -0.421  1.00  0.00           C  
HETATM   21  O5  UNL     1       1.095   3.467   0.182  1.00  0.00           O  
HETATM   22  N3  UNL     1      -0.848   4.008  -0.904  1.00  0.00           N  
HETATM   23  C14 UNL     1      -0.662   5.426  -0.724  1.00  0.00           C  
HETATM   24  C15 UNL     1      -0.598   5.760   0.736  1.00  0.00           C  
HETATM   25  O6  UNL     1      -0.701   4.863   1.606  1.00  0.00           O  
HETATM   26  O7  UNL     1      -0.422   7.058   1.143  1.00  0.00           O  
HETATM   27  H1  UNL     1      -2.960   0.474   2.380  1.00  0.00           H  
HETATM   28  H2  UNL     1      -3.769  -1.029   2.957  1.00  0.00           H  
HETATM   29  H3  UNL     1      -1.988  -0.997   2.641  1.00  0.00           H  
HETATM   30  H4  UNL     1      -5.283  -0.391   0.517  1.00  0.00           H  
HETATM   31  H5  UNL     1      -4.117  -0.105  -0.869  1.00  0.00           H  
HETATM   32  H6  UNL     1      -4.090   1.021   0.501  1.00  0.00           H  
HETATM   33  H7  UNL     1      -3.917  -2.542  -0.396  1.00  0.00           H  
HETATM   34  H8  UNL     1      -4.570  -2.512   1.263  1.00  0.00           H  
HETATM   35  H9  UNL     1      -2.474  -3.134   2.235  1.00  0.00           H  
HETATM   36  H10 UNL     1      -1.710  -3.229   0.596  1.00  0.00           H  
HETATM   37  H11 UNL     1      -3.863  -4.687   0.305  1.00  0.00           H  
HETATM   38  H12 UNL     1      -2.231   1.765  -0.350  1.00  0.00           H  
HETATM   39  H13 UNL     1      -1.340   1.515   1.175  1.00  0.00           H  
HETATM   40  H14 UNL     1      -0.212   1.330  -1.675  1.00  0.00           H  
HETATM   41  H15 UNL     1       1.236   1.061   1.005  1.00  0.00           H  
HETATM   42  H16 UNL     1       2.543  -1.418   0.566  1.00  0.00           H  
HETATM   43  H17 UNL     1       3.685  -0.081   0.348  1.00  0.00           H  
HETATM   44  H18 UNL     1       2.890  -2.291  -1.687  1.00  0.00           H  
HETATM   45  H19 UNL     1       3.962  -0.950  -2.124  1.00  0.00           H  
HETATM   46  H20 UNL     1       5.586  -1.628  -0.438  1.00  0.00           H  
HETATM   47  H21 UNL     1       5.043  -3.983   0.493  1.00  0.00           H  
HETATM   48  H22 UNL     1       4.086  -2.702   1.175  1.00  0.00           H  
HETATM   49  H23 UNL     1       5.699  -5.107  -1.097  1.00  0.00           H  
HETATM   50  H24 UNL     1      -1.699   3.681  -1.410  1.00  0.00           H  
HETATM   51  H25 UNL     1      -1.522   5.956  -1.161  1.00  0.00           H  
HETATM   52  H26 UNL     1       0.294   5.736  -1.233  1.00  0.00           H  
HETATM   53  H27 UNL     1      -0.562   7.882   0.604  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3    4    7
CONECT    3   30   31   32
CONECT    4    5   33   34
CONECT    5    6   35   36
CONECT    6   37
CONECT    7    8
CONECT    8    9   38   39
CONECT    9   10   20   40
CONECT   10   11   41
CONECT   11   12   12   13
CONECT   13   14   42   43
CONECT   14   15   44   45
CONECT   15   16   17   46
CONECT   16   47   48
CONECT   17   18   18   19
CONECT   19   49
CONECT   20   21   21   22
CONECT   22   23   50
CONECT   23   24   51   52
CONECT   24   25   25   26
CONECT   26   53
END
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SMILES for HMDB0252619 (gamma-Glutamylfelinylglycine)

CC(C)(CCO)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
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INCHI for HMDB0252619 (gamma-Glutamylfelinylglycine)

InChI=1S/C15H27N3O7S/c1-15(2,5-6-19)26-8-10(13(23)17-7-12(21)22)18-11(20)4-3-9(16)14(24)25/h9-10,19H,3-8,16H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
g-GlutamylfelinylglycineGenerator
Γ-glutamylfelinylglycineGenerator
Chemical FormulaC15H27N3O7S
Average Molecular Weight393.46
Monoisotopic Molecular Weight393.156971395
IUPAC Name2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-[(4-hydroxy-2-methylbutan-2-yl)sulfanyl]ethyl}carbamoyl)butanoic acid
Traditional Name2-amino-4-{[1-(carboxymethylcarbamoyl)-2-[(4-hydroxy-2-methylbutan-2-yl)sulfanyl]ethyl]carbamoyl}butanoic acid
CAS Registry NumberNot Available
SMILES
CC(C)(CCO)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O
InChI Identifier
InChI=1S/C15H27N3O7S/c1-15(2,5-6-19)26-8-10(13(23)17-7-12(21)22)18-11(20)4-3-9(16)14(24)25/h9-10,19H,3-8,16H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)
InChI KeyIWZOUBIWPYHNIH-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Gamma-glutamyl alpha peptide
  • Glutamine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Alpha-amino acid amide
  • Cysteine or derivatives
  • Alpha-amino acid
  • N-substituted-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Branched fatty acid
  • Hydroxy fatty acid
  • Thia fatty acid
  • N-acyl-amine
  • Fatty acyl
  • Fatty acid
  • Fatty amide
  • Dicarboxylic acid or derivatives
  • Amino acid
  • Amino acid or derivatives
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Dialkylthioether
  • Sulfenyl compound
  • Thioether
  • Organooxygen compound
  • Organic oxygen compound
  • Primary aliphatic amine
  • Primary amine
  • Organic nitrogen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Amine
  • Alcohol
  • Organic oxide
  • Primary alcohol
  • Organosulfur compound
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.7ALOGPS
logP-4.7ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)1.81ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area179.05 ŲChemAxon
Rotatable Bond Count13ChemAxon
Refractivity94.13 m³·mol⁻¹ChemAxon
Polarizability39.89 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+189.77830932474
DeepCCS[M-H]-187.4230932474
DeepCCS[M-2H]-220.60230932474
DeepCCS[M+Na]+196.13630932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
gamma-GlutamylfelinylglycineCC(C)(CCO)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O4179.3Standard polar33892256
gamma-GlutamylfelinylglycineCC(C)(CCO)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O2752.4Standard non polar33892256
gamma-GlutamylfelinylglycineCC(C)(CCO)SCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O3526.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
gamma-Glutamylfelinylglycine,4TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3211.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3114.4Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C4090.4Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #10CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3213.2Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #10CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3144.2Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #10CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C4156.0Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #11CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C3165.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #11CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C3157.6Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #11CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C4722.1Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #12CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3248.4Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #12CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3189.2Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #12CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C4185.1Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #13CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3401.0Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #13CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3219.0Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #13CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4287.7Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #14CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3444.9Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #14CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3200.5Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #14CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C4214.4Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #15CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3165.3Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #15CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3162.2Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #15CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C4088.6Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #16CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3363.4Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #16CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3158.9Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #16CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C4193.2Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #17CC(C)(CCO)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3193.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #17CC(C)(CCO)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3134.7Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #17CC(C)(CCO)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C4070.7Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #18CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C3127.3Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #18CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C3142.8Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #18CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4561.9Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #19CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3201.4Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #19CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3180.2Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #19CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C4099.6Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #2CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C3088.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #2CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C3113.9Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #2CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4617.9Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #20CC(C)(CCO)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3364.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #20CC(C)(CCO)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3201.6Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #20CC(C)(CCO)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4242.3Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #21CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3396.5Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #21CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3177.7Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #21CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C4177.8Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #22CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3191.8Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #22CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3190.6Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #22CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C4195.0Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #23CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3352.9Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #23CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3233.7Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #23CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4269.0Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #24CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3375.1Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #24CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3203.1Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #24CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C4238.8Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #25CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3384.4Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #25CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3259.2Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #25CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4271.6Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #3CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3121.3Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #3CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3088.8Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #3CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C4597.9Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #4CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3208.7Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #4CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3147.2Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #4CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C4119.3Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #5CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O3388.2Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #5CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O3151.4Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #5CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O4199.7Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #6CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3254.4Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #6CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3129.5Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #6CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C4054.1Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #7CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C3190.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #7CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C3132.2Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #7CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4539.9Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #8CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3193.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #8CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3171.7Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #8CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C4186.3Standard polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #9CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3394.5Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #9CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3179.6Standard non polar33892256
gamma-Glutamylfelinylglycine,4TMS,isomer #9CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C4237.6Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3130.2Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3191.0Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3745.6Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #10CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3361.7Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #10CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3235.3Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #10CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3896.0Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #11CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3417.4Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #11CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3288.2Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #11CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3955.4Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #12CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3138.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #12CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3230.0Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #12CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3773.8Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #13CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3313.0Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #13CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3251.3Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #13CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3869.4Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #14CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3310.4Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #14CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3226.8Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #14CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3852.3Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #15CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3362.4Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #15CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3278.1Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #15CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3913.0Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #16CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3336.8Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #16CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3297.6Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #16CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3962.2Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #2CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3323.8Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #2CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3188.5Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #2CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C3846.0Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #3CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3153.2Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #3CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3172.8Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #3CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3733.1Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #4CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C3080.5Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #4CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C3174.7Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #4CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C)[Si](C)(C)C4342.1Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #5CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3192.2Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #5CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3217.1Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #5CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3776.7Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #6CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3369.9Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #6CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3227.7Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #6CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3895.3Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #7CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3380.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #7CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3215.3Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #7CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C3842.7Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #8CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3183.3Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #8CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3228.4Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #8CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O)[Si](C)(C)C3860.2Standard polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #9CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3361.3Semi standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #9CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3257.9Standard non polar33892256
gamma-Glutamylfelinylglycine,5TMS,isomer #9CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3922.2Standard polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3126.1Semi standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3262.0Standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C3507.2Standard polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #2CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3311.7Semi standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #2CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3277.9Standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #2CC(C)(CCO[Si](C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3592.6Standard polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #3CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3311.1Semi standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #3CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3259.3Standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #3CC(C)(CCO[Si](C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C3579.3Standard polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #4CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3385.3Semi standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #4CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3310.7Standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #4CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3634.7Standard polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #5CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3362.9Semi standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #5CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3327.4Standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #5CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3676.2Standard polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #6CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3313.1Semi standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #6CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3326.3Standard non polar33892256
gamma-Glutamylfelinylglycine,6TMS,isomer #6CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3631.4Standard polar33892256
gamma-Glutamylfelinylglycine,7TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3357.9Semi standard non polar33892256
gamma-Glutamylfelinylglycine,7TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3359.7Standard non polar33892256
gamma-Glutamylfelinylglycine,7TMS,isomer #1CC(C)(CCO[Si](C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N(C(=O)CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3437.7Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #1CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4135.3Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #1CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3725.9Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #1CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4174.4Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #10CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4156.8Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #10CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3756.5Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #10CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4231.4Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #11CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C4130.3Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #11CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C3778.1Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #11CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O)[Si](C)(C)C(C)(C)C4662.4Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #12CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4162.9Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #12CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3788.0Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #12CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4277.7Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #13CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4315.0Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #13CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3795.7Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #13CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4304.0Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #14CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([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)C4318.9Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #14CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([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)C3783.4Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #14CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([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)C4267.3Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #15CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4044.7Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #15CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3767.4Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #15CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4175.3Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #16CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4257.8Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #16CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C3766.7Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #16CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C4222.6Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #17CC(C)(CCO)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[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)C4054.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #17CC(C)(CCO)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[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)C3754.3Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #17CC(C)(CCO)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[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)C4172.2Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #18CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4046.0Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #18CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3779.3Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #18CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4547.8Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #19CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4075.3Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #19CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3787.6Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #19CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4218.2Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #2CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4109.9Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #2CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3734.5Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #2CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4550.4Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #20CC(C)(CCO)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4266.5Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #20CC(C)(CCO)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3805.8Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #20CC(C)(CCO)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4271.3Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #21CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C4270.2Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #21CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3787.3Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #21CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C4240.6Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #22CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4082.8Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #22CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3805.2Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #22CC(C)(CCO)SCC(C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4277.7Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #23CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4260.2Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #23CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3809.3Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #23CC(C)(CCO)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4282.9Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #24CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O)N([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)C4260.0Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #24CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O)N([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)C3796.3Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #24CC(C)(CCO)SCC(NC(=O)CCC(C(=O)O)N([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)C4271.5Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #25CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4274.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #25CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3838.7Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #25CC(C)(CCO)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4332.5Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #3CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N)C(=O)O[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)C4115.4Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #3CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N)C(=O)O[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)C3726.7Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #3CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N)C(=O)O[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)C4545.7Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #4CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4151.7Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #4CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3753.1Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #4CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4200.7Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #5CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O4322.2Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #5CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O3761.3Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #5CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O4231.9Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #6CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C4152.2Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #6CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C3738.8Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #6CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C4172.9Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #7CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4136.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #7CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3757.2Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #7CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4544.9Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #8CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4150.1Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #8CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3767.3Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #8CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4242.1Standard polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #9CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([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)C4315.6Semi standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #9CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([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)C3761.9Standard non polar33892256
gamma-Glutamylfelinylglycine,4TBDMS,isomer #9CC(C)(CCO[Si](C)(C)C(C)(C)C)SCC(NC(=O)CCC(C(=O)O)N([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)C4255.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0ul4-6639000000-05fb03878906eb93c19d2021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Glutamylfelinylglycine GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylfelinylglycine 10V, Positive-QTOFsplash10-0a4l-0029000000-0ac271a7e438b6dfcfd52021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylfelinylglycine 20V, Positive-QTOFsplash10-0a5c-5593000000-a57e7d6cde86540bc40b2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylfelinylglycine 40V, Positive-QTOFsplash10-03e9-9830000000-57477b96adf36d0c5f352021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylfelinylglycine 10V, Negative-QTOFsplash10-05fu-0089000000-24d4d6e5e48c38c1a9602021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylfelinylglycine 20V, Negative-QTOFsplash10-00dl-1980000000-f6ee1d04bb8983d833222021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylfelinylglycine 40V, Negative-QTOFsplash10-002g-9810000000-d70f9a256b9cdd80daa82021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID21403109
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound88873746
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]