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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:15 UTC
Update Date2021-09-14 15:36:50 UTC
HMDB IDHMDB0028727
Secondary Accession Numbers
  • HMDB28727
Metabolite Identification
Common NameAsparaginylaspartic acid
DescriptionAsparaginylaspartic acid, also known as N-D or L-asn-L-asp, 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. Asparaginylaspartic acid has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make asparaginylaspartic acid a potential biomarker for the consumption of these foods. Asparaginylaspartic acid is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on Asparaginylaspartic acid.
Structure
Data?1582753331
Synonyms
ValueSource
L-Asn-L-aspChEBI
N-DChEBI
NDChEBI
AsparaginylaspartateGenerator
L-Asparaginyl-L-aspartateHMDB
Asn-aspHMDB
Asparagine aspartate dipeptideHMDB
Asparagine aspartic acid dipeptideHMDB
Asparagine-aspartate dipeptideHMDB
Asparagine-aspartic acid dipeptideHMDB
Asparaginyl-aspartateHMDB
Asparaginyl-aspartic acidHMDB
L-Asparaginyl-L-aspartic acidHMDB
N-AsparaginylaspartateHMDB
N-Asparaginylaspartic acidHMDB
N-D DipeptideHMDB
N-L-Asparaginyl-L-aspartateHMDB
N-L-Asparaginyl-L-aspartic acidHMDB
ND DipeptideHMDB
Chemical FormulaC8H13N3O6
Average Molecular Weight247.207
Monoisotopic Molecular Weight247.080435151
IUPAC Name(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]butanedioic acid
Traditional Name(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]butanedioic acid
CAS Registry Number61365-15-9
SMILES
N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C8H13N3O6/c9-3(1-5(10)12)7(15)11-4(8(16)17)2-6(13)14/h3-4H,1-2,9H2,(H2,10,12)(H,11,15)(H,13,14)(H,16,17)/t3-,4-/m0/s1
InChI KeyHZYFHQOWCFUSOV-IMJSIDKUSA-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
  • Aspartic acid or derivatives
  • Asparagine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Acyl-homoserine
  • Acyl-l-homoserine
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • N-acyl-amine
  • Fatty amide
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Fatty acyl
  • Primary carboxylic acid amide
  • Secondary carboxylic acid amide
  • Amino acid
  • Carboxamide group
  • Amino acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic 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-5.73Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility6.99 g/LALOGPS
logP-3.6ALOGPS
logP-5.5ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)3.17ChemAxon
pKa (Strongest Basic)7.35ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area172.81 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity51.69 m³·mol⁻¹ChemAxon
Polarizability21.79 ųChemAxon
Number of Rings0ChemAxon
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]+156.04330932474
DeepCCS[M-H]-153.67930932474
DeepCCS[M-2H]-186.60930932474
DeepCCS[M+Na]+162.1330932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Asparaginylaspartic acidN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O3205.6Standard polar33892256
Asparaginylaspartic acidN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O2081.3Standard non polar33892256
Asparaginylaspartic acidN[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(O)=O2693.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Asparaginylaspartic acid,1TMS,isomer #1C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O2339.9Semi standard non polar33892256
Asparaginylaspartic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O2292.6Semi standard non polar33892256
Asparaginylaspartic acid,1TMS,isomer #3C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O2339.8Semi standard non polar33892256
Asparaginylaspartic acid,1TMS,isomer #4C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O2360.6Semi standard non polar33892256
Asparaginylaspartic acid,1TMS,isomer #5C[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(=O)O)C(=O)O2327.1Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O[Si](C)(C)C2323.8Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #10C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2380.7Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #11C[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2501.9Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #12C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2381.4Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #2C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O2383.2Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #3C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O2391.1Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #4C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2347.5Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #5C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C2358.9Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #6C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C2355.0Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2343.3Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #8C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O2412.0Semi standard non polar33892256
Asparaginylaspartic acid,2TMS,isomer #9C[Si](C)(C)N([C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2457.4Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #1C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2410.6Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #1C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2322.8Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C2482.7Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #10C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C2423.5Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #11C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2400.5Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #11C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2346.4Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C2471.5Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #12C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C2430.6Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #13C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2367.6Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #13C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2411.6Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #14C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O2524.3Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #14C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O2497.4Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #15C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2533.9Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #15C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2550.5Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #16C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2429.4Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #16C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2502.2Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #17C[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O2513.8Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #17C[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O2446.0Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #18C[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O2490.0Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #18C[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O2475.5Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #2C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2394.7Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #2C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2379.7Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2345.6Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #3C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C2302.3Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #4C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O2436.8Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #4C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O2485.1Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2502.4Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #5C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2457.4Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #6C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2393.6Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #6C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2389.5Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2490.7Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #7C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2460.2Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #8C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2367.4Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #8C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2451.0Standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #9C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C2429.8Semi standard non polar33892256
Asparaginylaspartic acid,3TMS,isomer #9C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C2463.7Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #1C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2447.4Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #1C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2471.9Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #10C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2472.5Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #10C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2527.2Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #11C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C2514.5Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #11C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C2525.1Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #12C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2556.7Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #12C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2556.3Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #13C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2433.9Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #13C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2489.2Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2547.3Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #14C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2469.8Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2472.9Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #15C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2497.9Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #16C[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2659.6Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #16C[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2618.7Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #17C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2539.0Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #17C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C2570.7Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #18C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2548.6Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #18C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2596.5Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2519.5Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #2C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2448.9Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #3C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2389.9Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #3C[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2382.4Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #4C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2492.3Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #4C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2465.3Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #5C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2370.0Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #5C[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2439.9Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #6C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O2516.2Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #6C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O2540.1Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #7C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2545.4Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #7C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2577.0Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #8C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2409.5Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #8C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2520.2Standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2534.7Semi standard non polar33892256
Asparaginylaspartic acid,4TMS,isomer #9C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2505.6Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #1C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2510.5Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #1C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2542.6Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #10C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2531.3Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #10C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C2576.2Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #11C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2567.7Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #11C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2594.2Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #12C[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O2692.3Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #12C[Si](C)(C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](CC(=O)O)C(=O)O2683.5Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #2C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2514.5Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #2C[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2578.0Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #3C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2399.7Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #3C[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2515.5Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2561.5Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #4C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2501.1Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2489.1Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #5C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2535.7Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #6C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2672.3Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #6C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2648.8Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #7C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2518.7Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #7C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C2599.0Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #8C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2545.8Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #8C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2619.2Standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2671.8Semi standard non polar33892256
Asparaginylaspartic acid,5TMS,isomer #9C[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2635.3Standard non polar33892256
Asparaginylaspartic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2656.1Semi standard non polar33892256
Asparaginylaspartic acid,6TMS,isomer #1C[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2658.8Standard non polar33892256
Asparaginylaspartic acid,6TMS,isomer #2C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2525.8Semi standard non polar33892256
Asparaginylaspartic acid,6TMS,isomer #2C[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2608.7Standard non polar33892256
Asparaginylaspartic acid,6TMS,isomer #3C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2565.2Semi standard non polar33892256
Asparaginylaspartic acid,6TMS,isomer #3C[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2624.4Standard non polar33892256
Asparaginylaspartic acid,6TMS,isomer #4C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2689.9Semi standard non polar33892256
Asparaginylaspartic acid,6TMS,isomer #4C[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2711.5Standard non polar33892256
Asparaginylaspartic acid,6TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2706.4Semi standard non polar33892256
Asparaginylaspartic acid,6TMS,isomer #5C[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2691.5Standard non polar33892256
Asparaginylaspartic acid,7TMS,isomer #1C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2751.8Semi standard non polar33892256
Asparaginylaspartic acid,7TMS,isomer #1C[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2726.7Standard non polar33892256
Asparaginylaspartic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O2595.5Semi standard non polar33892256
Asparaginylaspartic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O2550.2Semi standard non polar33892256
Asparaginylaspartic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O2578.7Semi standard non polar33892256
Asparaginylaspartic acid,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O2618.7Semi standard non polar33892256
Asparaginylaspartic acid,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(N)=O)[C@@H](CC(=O)O)C(=O)O2603.7Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2806.6Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2850.8Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2906.4Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2864.3Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2843.0Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2857.5Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C2839.3Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2804.7Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2816.3Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C2828.6Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O2858.4Semi standard non polar33892256
Asparaginylaspartic acid,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)N([C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2907.1Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3064.5Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2888.0Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3154.4Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2930.9Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3088.3Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2877.9Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3121.8Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2944.7Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3061.1Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2916.9Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O3151.6Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O2996.5Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3191.0Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3006.3Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C3108.8Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C2932.0Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)C(=O)O3175.3Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)C(=O)O2937.9Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)C(=O)O3133.9Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](CC(=O)O)C(=O)O2959.2Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3048.2Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2917.6Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C3036.5Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC(N)=O)[Si](C)(C)C(C)(C)C2866.4Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O3086.3Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2968.8Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3193.0Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2972.4Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3101.8Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2904.1Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3149.3Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2986.9Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3081.2Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2940.6Standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C3078.4Semi standard non polar33892256
Asparaginylaspartic acid,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2936.1Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3308.3Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3100.8Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3363.5Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3160.9Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C3386.3Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C3152.9Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3439.0Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3164.2Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3310.9Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3097.9Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3417.6Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3128.8Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3357.1Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3148.0Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3489.8Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #16CC(C)(C)[Si](C)(C)N(C(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3231.5Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C3392.8Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #17CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C3169.5Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3438.1Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #18CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3174.7Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3412.5Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3119.2Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3279.8Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CC(N)=O)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3078.8Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3339.6Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3133.6Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3255.3Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3104.6Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O3390.4Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O3179.6Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3454.7Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3188.2Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3306.7Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3114.7Standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3426.4Semi standard non polar33892256
Asparaginylaspartic acid,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3145.1Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3576.1Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3314.8Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3594.9Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3334.0Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O)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)C3656.0Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #11CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O)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)C3345.3Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(=O)N([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](CC(=O)O)C(=O)O3727.7Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C(=O)[C@H](CC(=O)N([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](CC(=O)O)C(=O)O3411.9Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3655.7Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N[C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3326.9Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3472.5Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3271.3Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3657.6Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3313.0Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3570.8Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3328.6Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([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)O3741.0Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C[C@H](NC(=O)[C@H](CC(=O)N([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)O3402.9Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3603.6Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3345.5Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3658.6Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(=O)C[C@@H](C(=O)N([C@@H](CC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3357.4Standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N([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)C3728.7Semi standard non polar33892256
Asparaginylaspartic acid,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N([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)C3388.4Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Asparaginylaspartic acid 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 - Asparaginylaspartic acid 10V, Positive-QTOFsplash10-001i-1190000000-47aa0f03ff2290e4d7112019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 20V, Positive-QTOFsplash10-00dr-9430000000-df729aaf7445c456c4fa2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 40V, Positive-QTOFsplash10-00du-9000000000-1e23f3f684ef94a58ced2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 10V, Negative-QTOFsplash10-0f92-0290000000-f5a499882415ffbedd712019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 20V, Negative-QTOFsplash10-0f7x-6960000000-7ab37b18a1130eb98c682019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 40V, Negative-QTOFsplash10-0006-9400000000-7cbbeb1653013b6275d72019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 10V, Positive-QTOFsplash10-001j-0190000000-89ece5b0aeedb9aae5812021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 20V, Positive-QTOFsplash10-00lr-4910000000-dafb4f0c23fdee066c1d2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 40V, Positive-QTOFsplash10-03xs-9300000000-b9aeb60bef64e874decd2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 10V, Negative-QTOFsplash10-0f7k-0690000000-d23c197ad439d3c8d32d2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 20V, Negative-QTOFsplash10-0019-8900000000-c5f37d5b2c17734582192021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Asparaginylaspartic acid 40V, Negative-QTOFsplash10-06rf-9300000000-e9dbc2413159a545311c2021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart 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 IDFDB111784
KNApSAcK IDNot Available
Chemspider ID28639305
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound25145403
PDB IDNot Available
ChEBI ID73419
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 ReferencesNot Available