Hmdb loader
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-06 21:02:40 UTC
Update Date2021-09-14 15:36:53 UTC
HMDB IDHMDB0028830
Secondary Accession Numbers
  • HMDB0094678
  • HMDB28830
  • HMDB94678
Metabolite Identification
Common NameGlutamyltryptophan
DescriptionGlutamyltryptophan is a dipeptide composed of glutamate and tryptophan, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamyltryptophan is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. Glutamyltryptophan can be found in feces (PMID: 27015276 ). The synthetic version of this dipeptide is named Oglufanide. It was originally developed to treat severe infectious disease in Russia (where it is a registered pharmaceutical), and was extensively studied in cancer clinical trials in the United States before being acquired by Implicit Bioscience in 2005. Oglufanide works as a regulator of the body's immune response and is being given by intranasal administration to patients with chronic hepatitis C viral infection (DB05779).
Structure
Data?1582753345
Synonyms
ValueSource
alpha-Glu-TRPChEBI
alpha-GlutamyltryptophanChEBI
L-alpha-Glu-L-TRPChEBI
L-Glu-L-TRPChEBI
OglufanideChEBI
a-Glu-TRPGenerator
Α-glu-TRPGenerator
a-GlutamyltryptophanGenerator
Α-glutamyltryptophanGenerator
L-a-Glu-L-TRPGenerator
L-Α-glu-L-TRPGenerator
Glu-TRPHMDB
L-alpha-Glutamyl-L-tryptophanHMDB
Α-L-glu-L-TRPHMDB
Α-L-glutamyl-L-tryptophanHMDB
L-Α-glutamyl-L-tryptophanHMDB
N-Α-glutamyltryptophanHMDB
N-Α-L-glutamyl-L-tryptophanHMDB
N-L-Α-glutamyltryptophanHMDB
N-L-Α-glutamyl-L-tryptophanHMDB
alpha-L-Glu-L-TRPHMDB
alpha-L-Glutamyl-L-tryptophanHMDB
N-alpha-GlutamyltryptophanHMDB
N-alpha-L-Glutamyl-L-tryptophanHMDB
N-L-alpha-GlutamyltryptophanHMDB
N-L-alpha-Glutamyl-L-tryptophanHMDB
IM 862HMDB
NSC 334073HMDB
ThymogenHMDB
TimogenHMDB
L-Glutamyl-L-tryptophanHMDB
N-GlutamyltryptophanHMDB
N-L-Glutamyl-L-tryptophanHMDB
Glutamyl-tryptophanHMDB
Glutamic acid tryptophan dipeptideHMDB
Glutamate tryptophan dipeptideHMDB
Glutamic acid-tryptophan dipeptideHMDB
Glutamate-tryptophan dipeptideHMDB
e-W DipeptideHMDB
EW dipeptideHMDB
GlutamyltryptophanHMDB, ChEBI
Chemical FormulaC16H19N3O5
Average Molecular Weight333.344
Monoisotopic Molecular Weight333.132470724
IUPAC Name(4S)-4-amino-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
Traditional Name(4S)-4-amino-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid
CAS Registry Number38101-59-6
SMILES
N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O
InChI Identifier
InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1
InChI KeyLLEUXCDZPQOJMY-AAEUAGOBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPeptides
Alternative Parents
Substituents
  • Alpha peptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Gamma amino acid or derivatives
  • Alpha-amino acid or derivatives
  • 3-alkylindole
  • Indole
  • Indole or derivatives
  • Amino fatty acid
  • Dicarboxylic acid or derivatives
  • Substituted pyrrole
  • Fatty acyl
  • Benzenoid
  • Pyrrole
  • Heteroaromatic compound
  • Amino acid or derivatives
  • Amino acid
  • Organoheterocyclic compound
  • Organic 1,3-dipolar compound
  • Azacycle
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organooxygen compound
  • Primary amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-2.24Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1 g/LALOGPS
logP-1.5ALOGPS
logP-2.2ChemAxon
logS-3ALOGPS
pKa (Strongest Acidic)3.44ChemAxon
pKa (Strongest Basic)8.45ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area145.51 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity84.29 m³·mol⁻¹ChemAxon
Polarizability33.6 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-209.27930932474
DeepCCS[M+Na]+184.50630932474
AllCCS[M+H]+176.132859911
AllCCS[M+H-H2O]+173.232859911
AllCCS[M+NH4]+178.732859911
AllCCS[M+Na]+179.432859911
AllCCS[M-H]-177.232859911
AllCCS[M+Na-2H]-177.232859911
AllCCS[M+HCOO]-177.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GlutamyltryptophanN[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O4467.1Standard polar33892256
GlutamyltryptophanN[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O2432.8Standard non polar33892256
GlutamyltryptophanN[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=O3369.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glutamyltryptophan,1TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3236.0Semi standard non polar33892256
Glutamyltryptophan,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H](N)CCC(=O)O3222.4Semi standard non polar33892256
Glutamyltryptophan,1TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3268.7Semi standard non polar33892256
Glutamyltryptophan,1TMS,isomer #4C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3237.7Semi standard non polar33892256
Glutamyltryptophan,1TMS,isomer #5C[Si](C)(C)N1C=C(C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)C2=CC=CC=C213268.3Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C3192.9Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3256.0Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #11C[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3184.1Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3226.2Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3178.1Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3216.9Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #5C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C3213.8Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCC(=O)O3203.1Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C3161.3Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #8C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3355.5Semi standard non polar33892256
Glutamyltryptophan,2TMS,isomer #9C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3219.8Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C3204.8Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C3092.1Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C3206.9Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C3057.7Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C3131.3Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #11C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C3032.6Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #12C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3311.1Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #12C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3216.2Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #13C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3333.5Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #13C[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3199.6Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #14C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3191.4Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #14C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3145.4Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3129.1Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3066.2Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C3170.1Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #3C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C2972.6Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3315.7Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3238.3Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #5C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3184.1Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #5C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3156.6Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3214.8Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3090.3Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #7C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3121.6Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #7C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3061.7Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C3276.9Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C3175.7Standard non polar33892256
Glutamyltryptophan,3TMS,isomer #9C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3170.5Semi standard non polar33892256
Glutamyltryptophan,3TMS,isomer #9C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3122.1Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3284.0Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3211.7Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3179.5Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #10C[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3122.2Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #11C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3337.4Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #11C[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O3253.1Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3186.1Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #2C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3142.9Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C3191.3Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C3069.4Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3108.0Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3048.8Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3292.6Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #5C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3263.8Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #6C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3321.0Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #6C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3209.7Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #7C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3176.2Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #7C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C3146.8Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C3295.6Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C3183.2Standard non polar33892256
Glutamyltryptophan,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3301.6Semi standard non polar33892256
Glutamyltryptophan,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3234.4Standard non polar33892256
Glutamyltryptophan,5TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3326.0Semi standard non polar33892256
Glutamyltryptophan,5TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3248.1Standard non polar33892256
Glutamyltryptophan,5TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3303.9Semi standard non polar33892256
Glutamyltryptophan,5TMS,isomer #2C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3187.8Standard non polar33892256
Glutamyltryptophan,5TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3181.0Semi standard non polar33892256
Glutamyltryptophan,5TMS,isomer #3C[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C3129.3Standard non polar33892256
Glutamyltryptophan,5TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3326.7Semi standard non polar33892256
Glutamyltryptophan,5TMS,isomer #4C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3251.3Standard non polar33892256
Glutamyltryptophan,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3338.2Semi standard non polar33892256
Glutamyltryptophan,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3231.7Standard non polar33892256
Glutamyltryptophan,6TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3354.7Semi standard non polar33892256
Glutamyltryptophan,6TMS,isomer #1C[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3238.6Standard non polar33892256
Glutamyltryptophan,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3536.2Semi standard non polar33892256
Glutamyltryptophan,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@@H](N)CCC(=O)O3527.3Semi standard non polar33892256
Glutamyltryptophan,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3522.9Semi standard non polar33892256
Glutamyltryptophan,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3526.8Semi standard non polar33892256
Glutamyltryptophan,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C=C(C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O)C2=CC=CC=C213504.8Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3754.6Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O3735.2Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCC(=O)O)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O3706.9Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3753.7Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3734.0Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O3720.1Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3741.5Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@@H](N)CCC(=O)O3705.3Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C3719.9Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3865.4Semi standard non polar33892256
Glutamyltryptophan,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3733.1Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3920.7Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3668.4Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3874.1Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3599.8Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C3840.1Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C3562.7Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O4054.8Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O3746.0Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4083.1Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N([C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3703.1Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3905.6Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3643.0Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3917.1Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3621.8Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3838.6Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3522.2Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4106.3Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3772.5Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3941.7Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3693.5Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O3882.7Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O3625.0Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3858.2Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3570.5Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4074.2Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3726.3Standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3931.6Semi standard non polar33892256
Glutamyltryptophan,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3675.0Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4259.4Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3886.5Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4012.0Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3763.3Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O4224.8Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O3847.7Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4086.1Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3831.4Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3969.3Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C3735.3Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3973.4Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CC[C@H](N)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3701.2Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4248.8Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N([C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3916.9Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4227.5Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)CC[C@@H](C(=O)N[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3831.9Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C4017.6Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3770.8Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4202.6Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3806.7Standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4246.1Semi standard non polar33892256
Glutamyltryptophan,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3898.0Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glutamyltryptophan GC-MS (Non-derivatized) - 70eV, Positivesplash10-0k9x-9740000000-890ec1661e76a8511c692017-09-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glutamyltryptophan GC-MS (3 TMS) - 70eV, Positivesplash10-001i-5603950000-2672a79cdac72505e8662017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glutamyltryptophan GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 10V, Negative-QTOFsplash10-001i-0149000000-893a0bec966cfacdfeb62017-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 20V, Negative-QTOFsplash10-0gx9-1794000000-9555ad44530c570861fd2017-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 40V, Negative-QTOFsplash10-0ldi-8940000000-f108096aed88532c6fb02017-09-14Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 10V, Positive-QTOFsplash10-0gc0-1479000000-5d81dd7a46786c5478072017-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 20V, Positive-QTOFsplash10-0zg0-3961000000-b5e369ea4e2f59f3c5dc2017-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 40V, Positive-QTOFsplash10-053r-7900000000-25dc629d07f36eb5a5712017-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 10V, Positive-QTOFsplash10-05o9-0559000000-1d3852f06a6d5d6920d42021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 20V, Positive-QTOFsplash10-052r-3940000000-400e244707fbd0b075ad2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 40V, Positive-QTOFsplash10-0a4i-9300000000-e49d14cbd72adae3770b2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 10V, Negative-QTOFsplash10-001i-0119000000-35e3333be20fa810661a2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 20V, Negative-QTOFsplash10-0jba-1793000000-28308682cb5de6fe55012021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamyltryptophan 40V, Negative-QTOFsplash10-014i-2910000000-15beab74d09e559a74cb2021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  2. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
Associated OMIM IDs
DrugBank IDDB05779
Phenol Explorer Compound IDNot Available
FooDB IDFDB111872
KNApSAcK IDNot Available
Chemspider ID90450
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound100094
PDB IDNot Available
ChEBI ID73512
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. Belokrylov GA, Popova OYa, Sorochinskaya EI: Immuno-, phagocytosis-modulating and antitoxic properties of dipeptides are defined by the activity of their constituent amino acids. Int J Immunopharmacol. 1999 Dec;21(12):879-83. [PubMed:10606007 ]
  2. Belokrylov GA, Derevnina OY, Molchanova IV, Sorochinskaya EI: Immuno-, phagocytosis-modulating, and antitoxic properties of amino acids and peptide preparations. Drug Dev Ind Pharm. 1998 Feb;24(2):115-27. [PubMed:15605441 ]
  3. Deigin VI, Semenets TN, Zamulaeva IA, Maliutina YV, Selivanova EI, Saenko AS, Semina OV: The effects of the EW dipeptide optical and chemical isomers on the CFU-S population in intact and irradiated mice. Int Immunopharmacol. 2007 Mar;7(3):375-82. Epub 2006 Dec 20. [PubMed:17276896 ]
  4. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  5. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]