Hmdb loader
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-06 21:03:09 UTC
Update Date2021-09-14 15:47:05 UTC
HMDB IDHMDB0028963
Secondary Accession Numbers
  • HMDB28963
Metabolite Identification
Common NameLysyltyrosine
DescriptionLysyltyrosine is a dipeptide composed of lysine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Structure
Data?1582753359
Synonyms
ValueSource
K-YChEBI
KYChEBI
L-Lys-L-tyrChEBI
K-Y dipeptideHMDB
KY dipeptideHMDB
L-Lysyl-L-tyrosineHMDB
Lys-tyrHMDB
Lysine tyrosine dipeptideHMDB
Lysine-tyrosine dipeptideHMDB
Lysyl-tyrosineHMDB
N-L-Lysyl-L-tyrosineHMDB
N-LysyltyrosineHMDB
LysyltyrosineChEBI
Chemical FormulaC15H23N3O4
Average Molecular Weight309.366
Monoisotopic Molecular Weight309.168856233
IUPAC Name(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanoic acid
Traditional Name(2S)-2-[(2S)-2,6-diaminohexanamido]-3-(4-hydroxyphenyl)propanoic acid
CAS Registry Number35978-98-4
SMILES
NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O
InChI Identifier
InChI=1S/C15H23N3O4/c16-8-2-1-3-12(17)14(20)18-13(15(21)22)9-10-4-6-11(19)7-5-10/h4-7,12-13,19H,1-3,8-9,16-17H2,(H,18,20)(H,21,22)/t12-,13-/m0/s1
InChI KeyMYTOTTSMVMWVJN-STQMWFEESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Tyrosine or derivatives
  • Phenylalanine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • 3-phenylpropanoic-acid
  • Alpha-amino acid or derivatives
  • Amphetamine or derivatives
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • N-acyl-amine
  • Fatty amide
  • Monocyclic benzene moiety
  • Fatty acyl
  • Benzenoid
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic 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-2.34Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.48 g/LALOGPS
logP-2.3ALOGPS
logP-2.4ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)3.48ChemAxon
pKa (Strongest Basic)10.29ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area138.67 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity81.71 m³·mol⁻¹ChemAxon
Polarizability32.21 ųChemAxon
Number of Rings1ChemAxon
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+H]+179.48830932474
DeepCCS[M-H]-177.1330932474
DeepCCS[M-2H]-211.00830932474
DeepCCS[M+Na]+186.34130932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
LysyltyrosineNCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O4157.8Standard polar33892256
LysyltyrosineNCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O2901.8Standard non polar33892256
LysyltyrosineNCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O3059.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Lysyltyrosine,1TMS,isomer #1C[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)C=C12901.9Semi standard non polar33892256
Lysyltyrosine,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN2844.1Semi standard non polar33892256
Lysyltyrosine,1TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O3073.3Semi standard non polar33892256
Lysyltyrosine,1TMS,isomer #4C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O2979.6Semi standard non polar33892256
Lysyltyrosine,1TMS,isomer #5C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CC=C(O)C=C1)C(=O)O2842.3Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)[C@@H](N)CCCCN2867.6Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #10C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C2945.5Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #11C[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C3050.5Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #12C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C2862.1Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O2935.7Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O3016.9Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #4C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C)C=C12844.8Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #5C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C2872.3Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #6C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C2970.1Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C2762.9Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #8C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O3062.8Semi standard non polar33892256
Lysyltyrosine,2TMS,isomer #9C[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C3170.8Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2902.1Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2813.1Standard non polar33892256
Lysyltyrosine,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C2929.4Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C2945.4Standard non polar33892256
Lysyltyrosine,3TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2791.5Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2864.7Standard non polar33892256
Lysyltyrosine,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C3050.2Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C2944.1Standard non polar33892256
Lysyltyrosine,3TMS,isomer #13C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2845.3Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #13C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2911.4Standard non polar33892256
Lysyltyrosine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O3137.6Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O3051.1Standard non polar33892256
Lysyltyrosine,3TMS,isomer #15C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3108.8Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #15C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3062.5Standard non polar33892256
Lysyltyrosine,3TMS,isomer #16C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C2949.0Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #16C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C3003.5Standard non polar33892256
Lysyltyrosine,3TMS,isomer #17C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3050.5Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #17C[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3024.1Standard non polar33892256
Lysyltyrosine,3TMS,isomer #18C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O2960.3Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #18C[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O2966.8Standard non polar33892256
Lysyltyrosine,3TMS,isomer #2C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2975.8Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #2C[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2809.0Standard non polar33892256
Lysyltyrosine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C2818.4Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C2760.3Standard non polar33892256
Lysyltyrosine,3TMS,isomer #4C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O3031.5Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #4C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O2947.0Standard non polar33892256
Lysyltyrosine,3TMS,isomer #5C[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C13025.1Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #5C[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C12930.5Standard non polar33892256
Lysyltyrosine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2899.6Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2858.6Standard non polar33892256
Lysyltyrosine,3TMS,isomer #7C[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C13149.9Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #7C[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C12927.9Standard non polar33892256
Lysyltyrosine,3TMS,isomer #8C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2942.3Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #8C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2892.3Standard non polar33892256
Lysyltyrosine,3TMS,isomer #9C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C2963.2Semi standard non polar33892256
Lysyltyrosine,3TMS,isomer #9C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C2960.6Standard non polar33892256
Lysyltyrosine,4TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2994.2Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C2937.6Standard non polar33892256
Lysyltyrosine,4TMS,isomer #10C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C13089.3Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #10C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C12984.0Standard non polar33892256
Lysyltyrosine,4TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C3073.9Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #11C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C3034.1Standard non polar33892256
Lysyltyrosine,4TMS,isomer #12C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3026.0Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #12C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3062.6Standard non polar33892256
Lysyltyrosine,4TMS,isomer #13C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2888.6Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #13C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2998.8Standard non polar33892256
Lysyltyrosine,4TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2942.8Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2985.2Standard non polar33892256
Lysyltyrosine,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3007.9Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3011.2Standard non polar33892256
Lysyltyrosine,4TMS,isomer #16C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3225.9Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #16C[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3153.4Standard non polar33892256
Lysyltyrosine,4TMS,isomer #17C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C3093.1Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #17C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C3084.8Standard non polar33892256
Lysyltyrosine,4TMS,isomer #18C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3051.5Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #18C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3100.7Standard non polar33892256
Lysyltyrosine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C2999.3Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C2926.7Standard non polar33892256
Lysyltyrosine,4TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2858.2Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #3C[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2857.2Standard non polar33892256
Lysyltyrosine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C3122.8Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C2919.9Standard non polar33892256
Lysyltyrosine,4TMS,isomer #5C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2896.4Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #5C[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2883.5Standard non polar33892256
Lysyltyrosine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O3160.4Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O3018.1Standard non polar33892256
Lysyltyrosine,4TMS,isomer #7C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3119.5Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #7C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C3039.0Standard non polar33892256
Lysyltyrosine,4TMS,isomer #8C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2972.6Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #8C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C2983.9Standard non polar33892256
Lysyltyrosine,4TMS,isomer #9C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C13021.2Semi standard non polar33892256
Lysyltyrosine,4TMS,isomer #9C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C12969.7Standard non polar33892256
Lysyltyrosine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C3162.3Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C3007.5Standard non polar33892256
Lysyltyrosine,5TMS,isomer #10C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3058.8Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #10C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3076.6Standard non polar33892256
Lysyltyrosine,5TMS,isomer #11C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3053.9Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #11C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3091.8Standard non polar33892256
Lysyltyrosine,5TMS,isomer #12C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3247.9Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #12C[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3187.9Standard non polar33892256
Lysyltyrosine,5TMS,isomer #2C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3090.4Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #2C[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3029.8Standard non polar33892256
Lysyltyrosine,5TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2947.3Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C2972.3Standard non polar33892256
Lysyltyrosine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3038.3Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2967.0Standard non polar33892256
Lysyltyrosine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3088.7Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2985.7Standard non polar33892256
Lysyltyrosine,5TMS,isomer #6C[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C13283.4Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #6C[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O)C=C13114.1Standard non polar33892256
Lysyltyrosine,5TMS,isomer #7C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C3146.6Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #7C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C3056.9Standard non polar33892256
Lysyltyrosine,5TMS,isomer #8C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3108.0Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #8C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3071.1Standard non polar33892256
Lysyltyrosine,5TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3213.4Semi standard non polar33892256
Lysyltyrosine,5TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3140.9Standard non polar33892256
Lysyltyrosine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3300.4Semi standard non polar33892256
Lysyltyrosine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)NC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3102.5Standard non polar33892256
Lysyltyrosine,6TMS,isomer #2C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3147.0Semi standard non polar33892256
Lysyltyrosine,6TMS,isomer #2C[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C3051.2Standard non polar33892256
Lysyltyrosine,6TMS,isomer #3C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3139.7Semi standard non polar33892256
Lysyltyrosine,6TMS,isomer #3C[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3063.3Standard non polar33892256
Lysyltyrosine,6TMS,isomer #4C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C13325.3Semi standard non polar33892256
Lysyltyrosine,6TMS,isomer #4C[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)C=C13152.8Standard non polar33892256
Lysyltyrosine,6TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3279.8Semi standard non polar33892256
Lysyltyrosine,6TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3173.3Standard non polar33892256
Lysyltyrosine,7TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3371.1Semi standard non polar33892256
Lysyltyrosine,7TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C)C=C1)N(C(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3150.7Standard non polar33892256
Lysyltyrosine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)O)C=C13184.4Semi standard non polar33892256
Lysyltyrosine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN3132.7Semi standard non polar33892256
Lysyltyrosine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O3312.0Semi standard non polar33892256
Lysyltyrosine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O3208.9Semi standard non polar33892256
Lysyltyrosine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3129.7Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)[C@@H](N)CCCCN3434.9Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3456.3Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N([C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3491.3Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3381.5Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3461.9Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3552.0Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C)C=C13411.1Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3366.4Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3448.1Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C3325.8Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O3528.6Semi standard non polar33892256
Lysyltyrosine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(CCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3616.3Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3654.3Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3351.9Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3680.0Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3450.0Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3540.6Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3408.8Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3776.3Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3465.1Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3602.6Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3445.9Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O3844.8Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O3536.6Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3850.0Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3530.3Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3663.5Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3476.4Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3763.0Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3503.8Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3686.7Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3470.4Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3718.4Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3364.8Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C3633.4Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)[C@@H](N)CCCCN)[Si](C)(C)C(C)(C)C3334.3Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3794.6Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3448.6Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C13793.9Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C13422.8Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3679.1Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3377.9Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C13901.4Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C13437.4Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3735.0Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3404.3Standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3643.6Semi standard non polar33892256
Lysyltyrosine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3473.8Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3921.9Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3575.1Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C14052.3Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13597.7Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3985.1Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3663.1Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4008.1Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3669.6Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3801.1Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3619.1Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3880.3Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3620.8Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3952.4Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3642.5Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4153.8Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(CCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3742.0Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C4001.7Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3688.0Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3996.2Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3696.9Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3995.1Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3551.3Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3855.3Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CCCCN)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3521.6Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4073.6Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)NC(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3565.5Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3910.1Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCC[C@H](N)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3538.3Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O4119.8Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O3641.4Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4134.9Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3644.0Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3964.8Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3590.1Standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13982.2Semi standard non polar33892256
Lysyltyrosine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@@H](C(=O)O)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C13593.4Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C4284.2Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C3745.2Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4183.7Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3805.6Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4180.7Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3824.0Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O4318.7Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC1=CC=C(O)C=C1)C(=O)O3888.9Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4291.4Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N[C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3753.1Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4086.4Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3714.0Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4205.3Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)[C@H](CCCCN)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3733.0Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4266.2Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)N(C(=O)[C@@H](N)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3732.4Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C14427.1Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC=C(C[C@H](NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)C=C13813.7Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C4298.1Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C3773.1Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4290.2Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)NCCCC[C@@H](C(=O)N([C@@H](CC1=CC=C(O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3789.4Standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4328.8Semi standard non polar33892256
Lysyltyrosine,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3846.0Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Lysyltyrosine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lysyltyrosine 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 - Lysyltyrosine 10V, Negative-QTOFsplash10-0a4i-0019000000-96ea513443de0400bf962021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lysyltyrosine 20V, Negative-QTOFsplash10-0536-3912000000-f077f580724f9d62aa202021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lysyltyrosine 40V, Negative-QTOFsplash10-00di-9600000000-3525343545c189ccee2c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lysyltyrosine 10V, Positive-QTOFsplash10-03di-0139000000-83835ff9d0135315c43d2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lysyltyrosine 20V, Positive-QTOFsplash10-0019-8900000000-66b87db05ac558b051312021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lysyltyrosine 40V, Positive-QTOFsplash10-0a4i-9200000000-dc471aa74666fc7b132b2021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal 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. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111986
KNApSAcK IDNot Available
Chemspider ID5384717
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7021820
PDB IDNot Available
ChEBI ID73608
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. Jean PA, Reed DJ: In vitro dipeptide, nucleoside, and glutathione alkylation by S-(2-chloroethyl)glutathione and S-(2-chloroethyl)-L-cysteine. Chem Res Toxicol. 1989 Nov-Dec;2(6):455-60. [PubMed:2519737 ]
  2. Wang DX, Lu GS, Liu W, Wang NG, Guan MZ, Zhao YL, Wang XN, Cheng ZP: [Synthesis of small peptides containing hydroxy-amino-acid, and its effects on progesterone production]. Yao Xue Xue Bao. 1991;26(1):25-9. [PubMed:1887790 ]
  3. Stone AL: Studies on a molecular basis for the heparin-induced regulation of enzymatic activity of mouse striatal tyrosine hydroxylase in vitro. Inhibition of heparin activation and of the enzyme by poly-L-lysyltyrosine and poly-L-lysylphenylalanine and their constituent peptides. J Neurochem. 1980 Nov;35(5):1137-50. [PubMed:6109005 ]
  4. Melville CR, Green EL, Sanders-Loehr J, Klinman JP: Reassessment of the active site quino-cofactor proposed to occur in the Aspergillus niger amine oxidase AO-I from the properties of model compounds. Biochemistry. 2000 Jun 27;39(25):7589-94. [PubMed:10858309 ]