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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-02-03 10:33:25 UTC
Update Date2021-09-14 15:29:57 UTC
HMDB IDHMDB0011655
Secondary Accession Numbers
  • HMDB11655
Metabolite Identification
Common Name2-(3-Carboxy-3-aminopropyl)-L-histidine
Description2-(3-Carboxy-3-aminopropyl)-L-histidine is an unusual amino acid that results from the post-translational modification of histidine in certain proteins. In particular, it is a post-translational derivative of histidine that exists in protein synthesis elongation factor 2 (EF2) at the site of diphtheria toxin-catalyzed ADP-ribosylation of elongation factor 2. It is a precursor for diphthamide. This compound is a substrate for the enzyme diphthine synthase (EC 2.1.1.98). This enzyme catalyzes the chemical reaction: S-adenosyl-L-methionine + 2-(3-carboxy-3-aminopropyl)-L-histidine = S-adenosyl-L-homocysteine + 2-[3-carboxy-3-(methylammonio)propyl]-L-histidine.
Structure
Data?1582752934
Synonyms
ValueSource
2-(3-Carboxy-3-aminopropyl)-L-histidineChEBI
2-(3-amino-3-Carboxypropyl)-L-histidineHMDB
2-amino-4-[[4-(2-amino-2-Carboxy-ethyl)-1H-imidazol-2-yl]] butanoateHMDB
2-amino-4-[[4-(2-amino-2-Carboxy-ethyl)-1H-imidazol-2-yl]] butanoic acidHMDB
Chemical FormulaC10H16N4O4
Average Molecular Weight256.2584
Monoisotopic Molecular Weight256.11715502
IUPAC Name2-amino-4-{5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}butanoic acid
Traditional Name2-amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-3H-imidazol-2-yl}butanoic acid
CAS Registry NumberNot Available
SMILES
NC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O
InChI Identifier
InChI=1S/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)/t6?,7-/m0/s1
InChI KeyCJCSNWWKPUXVRD-MLWJPKLSSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentHistidine and derivatives
Alternative Parents
Substituents
  • Histidine or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Dicarboxylic acid or derivatives
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Amino acid
  • Carboxylic acid
  • Azacycle
  • Organoheterocyclic compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Disposition

Source

Route of exposure

Physical Properties
StateSolid
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
Water Solubility8.71 g/LALOGPS
logP10(-4.1) g/LALOGPS
logP10(-6.5) g/LChemAxon
logS10(-1.5) g/LALOGPS
pKa (Strongest Acidic)1.63ChemAxon
pKa (Strongest Basic)9.78ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area155.32 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity61.14 m³·mol⁻¹ChemAxon
Polarizability25.54 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
DarkChem[M+H]+160.07231661259
DarkChem[M-H]-158.45831661259

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-(3-Carboxy-3-aminopropyl)-L-histidineNC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O3521.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidineNC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O2328.9Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidineNC(CCC1=NC=C(C[C@H](N)C(O)=O)N1)C(O)=O3008.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TMS,isomer #1C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(N)C(=O)O)[NH]12622.9Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TMS,isomer #2C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O)[NH]12636.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O2748.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TMS,isomer #4C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O2745.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TMS,isomer #5C[Si](C)(C)N1C(C[C@H](N)C(=O)O)=CN=C1CCC(N)C(=O)O2763.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #1C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]12549.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #10C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O2774.9Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #11C[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C2834.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #12C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O2774.4Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C2666.4Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O2688.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #4C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C2687.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #5C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C2689.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O2701.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #7C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C2681.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #8C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O2778.9Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TMS,isomer #9C[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C2864.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #1C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2605.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #1C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2475.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #1C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C3722.6Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #10C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2836.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #10C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2584.3Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #10C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C4009.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #11C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2705.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #11C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2542.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #11C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C3900.2Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #12C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]12794.4Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #12C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]12619.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #12C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]13909.1Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #13C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2707.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #13C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2554.2Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #13C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O3846.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O2883.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O2662.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #14C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O3716.2Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #15C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O2859.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #15C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O2649.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #15C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O3703.1Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #16C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O2786.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #16C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O2580.7Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #16C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O3702.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #17C[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2905.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #17C[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2653.6Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #17C[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C4047.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #18C[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2899.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #18C[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2655.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #18C[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C4103.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2602.9Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2493.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C3816.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C2622.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C2490.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #3C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C4172.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #4C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O2720.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #4C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O2546.8Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #4C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O3580.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2806.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2587.3Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C)[Si](C)(C)C4084.2Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2694.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2547.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C3974.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]12819.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]12597.2Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]13834.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #8C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2713.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #8C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2540.2Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #8C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O3778.0Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #9C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C2732.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #9C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C2546.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TMS,isomer #9C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C3577.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #1C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2660.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #1C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2586.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #1C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C3161.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2861.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2682.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #10C[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3585.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #11C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O2836.9Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #11C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O2677.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #11C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O3351.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #12C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2813.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #12C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2683.8Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #12C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C3299.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #13C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2755.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #13C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2617.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #13C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C3282.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #14C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2862.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #14C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2686.2Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #14C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3733.6Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #15C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2836.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #15C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2710.6Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #15C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3642.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #16C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C2959.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #16C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C2794.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #16C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C3439.6Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #17C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2928.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #17C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2732.3Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #17C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O3435.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #18C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2910.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #18C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2737.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #18C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O3425.0Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2768.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2609.9Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #2C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C3579.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2670.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2563.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C3497.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]12757.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]12633.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #4C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]13661.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #5C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2661.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #5C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2586.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #5C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C3576.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2827.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2688.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #6C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C3315.1Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #7C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O2821.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #7C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O2670.8Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #7C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O3342.9Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #8C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2736.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #8C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2626.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #8C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O3289.9Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2844.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2700.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3796.6Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2813.4Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2700.8Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #1C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2991.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #10C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2896.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #10C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2740.3Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #10C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O3135.4Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #11C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2872.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #11C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2754.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #11C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C3083.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #12C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C3062.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #12C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C2871.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #12C[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O)[Si](C)(C)C3253.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #2C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2789.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #2C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2690.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #2C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)C(=O)O[Si](C)(C)C2982.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2718.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2652.8Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2939.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #4C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2832.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #4C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2693.8Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #4C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3397.0Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #5C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2821.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #5C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C2718.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #5C[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C3463.0Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2983.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2806.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #6C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C3133.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #7C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2880.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #7C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2756.2Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #7C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C3107.1Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #8C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2877.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #8C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O2746.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #8C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O3122.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #9C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2976.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #9C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2806.6Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TMS,isomer #9C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C3131.6Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C3015.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2800.7Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #1C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[NH]1)N([Si](C)(C)C)[Si](C)(C)C2858.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2884.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2764.3Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #2C[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2840.4Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2874.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2766.7Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #3C[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)C(=O)O[Si](C)(C)C2832.6Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3060.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2870.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2974.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #5C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3059.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #5C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2869.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,6TMS,isomer #5C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2966.4Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,7TMS,isomer #1C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3115.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,7TMS,isomer #1C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2875.9Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,7TMS,isomer #1C[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N1[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2793.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(N)C(=O)O)[NH]12895.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O)[NH]12897.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O2995.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O2997.9Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C(C[C@H](N)C(=O)O)=CN=C1CCC(N)C(=O)O2975.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]13012.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O3245.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C3259.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O3240.9Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3148.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3151.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C3165.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3148.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3167.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C3168.4Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O3238.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C3278.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3272.4Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3087.8Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3755.4Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3461.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3177.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3924.9Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3386.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3132.3Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3858.1Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]13449.4Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]13198.7Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]13857.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3399.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3161.6Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3825.1Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3514.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3250.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3714.2Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3517.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3246.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3701.4Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O3490.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O3184.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O3694.2Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3547.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3208.3Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3923.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3556.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3236.9Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)N([C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3957.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3275.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3105.8Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3821.4Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3316.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3100.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C4109.0Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3391.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3159.6Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O3627.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3451.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3196.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3973.4Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3377.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3153.2Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3910.2Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]13445.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]13169.7Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]13808.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3395.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3140.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3777.2Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3394.9Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3164.6Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3621.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3488.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3312.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3438.0Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3702.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3363.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3697.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(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)[NH]1)C(=O)O3690.0Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(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)[NH]1)C(=O)O3418.2Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(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)[NH]1)C(=O)O3533.9Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3669.9Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3401.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3498.9Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3608.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3327.7Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3498.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3718.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3386.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3783.1Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3709.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3398.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C3730.1Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C3815.1Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C3487.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O)[Si](C)(C)C(C)(C)C3581.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3793.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3415.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3584.4Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3802.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3425.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3574.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3621.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3342.7Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3679.0Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3521.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3287.3Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3638.0Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](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)[NH]13619.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](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)[NH]13365.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](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)[NH]13728.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3525.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3309.3Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3686.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3660.4Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3400.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3512.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O3694.6Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O3406.1Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O3528.2Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3603.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3330.6Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O3507.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3706.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3404.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(N)C(=O)O)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3822.8Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3840.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3534.7Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3370.9Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(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)N1[Si](C)(C)C(C)(C)C)C(=O)O3927.9Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(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)N1[Si](C)(C)C(C)(C)C)C(=O)O3559.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(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)N1[Si](C)(C)C(C)(C)C)C(=O)O3439.6Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3919.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3554.8Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3410.0Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C4116.2Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3634.9Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3484.5Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3823.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3528.7Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](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)[NH]1)C(=O)O[Si](C)(C)C(C)(C)C3362.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3702.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3463.2Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3367.7Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3882.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3521.3Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3621.6Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C3883.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C3550.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(N)CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C3656.9Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3986.8Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3620.0Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3416.3Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3899.5Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3548.5Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CC1=CN=C(CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3427.4Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O3923.7Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O3565.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(CCC1=NC=C(C[C@@H](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)N1[Si](C)(C)C(C)(C)C)C(=O)O3438.2Standard polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3992.3Semi standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3627.4Standard non polar33892256
2-(3-Carboxy-3-aminopropyl)-L-histidine,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C(CCC1=NC=C(C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[NH]1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3412.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine GC-MS (Non-derivatized) - 70eV, Positivesplash10-02mu-5940000000-c3310ff9a24aa7c862e62016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine GC-MS (2 TMS) - 70eV, Positivesplash10-001i-3592000000-a21b1849129fc09978d02017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 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 - 2-(3-Carboxy-3-aminopropyl)-L-histidine 10V, Positive-QTOFsplash10-03dl-0490000000-b169c82b73ecee75fb2e2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 20V, Positive-QTOFsplash10-02tc-0930000000-88b257572c5443b2894a2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 40V, Positive-QTOFsplash10-00kr-1900000000-34de02163a51cec0b9202016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 10V, Negative-QTOFsplash10-0a4i-0190000000-6fb3de3d4334b0f51e462016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 20V, Negative-QTOFsplash10-0a4i-1790000000-4f147519032e147413162016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 40V, Negative-QTOFsplash10-00di-7910000000-b899dda5046bb04ed5ec2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 10V, Negative-QTOFsplash10-0a4r-0190000000-c2328930b95b5240880d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 20V, Negative-QTOFsplash10-052u-1950000000-d39ef30f4993bac546fc2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 40V, Negative-QTOFsplash10-01bc-2900000000-34f57b5e9afde72e67e12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 10V, Positive-QTOFsplash10-0a4i-0090000000-6b70ce39004c223ed4472021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 20V, Positive-QTOFsplash10-01vo-0590000000-de801a6acbb75116fe8e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 2-(3-Carboxy-3-aminopropyl)-L-histidine 40V, Positive-QTOFsplash10-00y0-1900000000-c344db411f89e38f99b32021-09-22Wishart 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 LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028346
KNApSAcK IDNot Available
Chemspider ID389308
KEGG Compound IDC04441
BioCyc ID2-3-CARBOXY-3-AMINOPROPYL-L-HISTIDINE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440342
PDB IDNot Available
ChEBI ID17144
Food Biomarker OntologyNot Available
VMH IDM02699
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in methyltransferase activity
Specific function:
S-adenosyl-L-methionine-dependent methyltransferase that catalyzes the trimethylation of the amino group of the modified target histidine residue in translation elongation factor 2 (EF-2), to form an intermediate called diphthine. The three successive methylation reactions represent the second step of diphthamide biosynthesis (By similarity).
Gene Name:
DPH5
Uniprot ID:
Q9H2P9
Molecular weight:
31651.17
Reactions
S-Adenosylmethionine + 2-(3-Carboxy-3-aminopropyl)-L-histidine → S-Adenosylhomocysteine + 2-(3-carboxy-3-(trimethylammonio)propyl)-L-histidinedetails