for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Aspartame-d 5 is the deuterium labeled Aspartame. Aspartame (SC-18862) is a methyl ester of a dipeptide. Aspartame can be used as a synthetic nonnutritive sweetener. Aspartame is composed of phenylalanine (50%), aspartic acid (40%) and methanol (10%).
In Vitro
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
| Canonical Smiles | COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N |
|---|---|
| IUPAC Name | (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-(2,3,4,5,6-pentadeuteriophenyl)propan-2-yl]amino]-4-oxobutanoic acid |
| InChIKey | IAOZJIPTCAWIRG-HEPISUNPSA-N |
| INCHI | 1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)/t10-,11-/m0/s1/i2D,3D,4D,5D,6D |
| Isomeric SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C[C@@H](C(=O)OC)NC(=O)[C@H](CC(=O)O)N)[2H])[2H] |
| Molecular Weight | 299.33 |
| Reaxy-Rn | 4707041 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4707041&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Peptides |
| Alternative Parents | Phenylalanine and derivatives Aspartic acid and derivatives Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Fatty acid esters N-acyl amines Dicarboxylic acids and derivatives Methyl esters Secondary carboxylic acid amides Amino acids Carboxylic acids Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha peptide - Phenylalanine or derivatives - Aspartic acid or derivatives - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Amphetamine or derivatives - Fatty acid ester - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Methyl ester - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Amino acid - Carboxylic acid - Organic oxygen compound - Primary amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. |
| External Descriptors | Not available |
| Molecular Weight | 299.330 g/mol |
|---|---|
| XLogP3 | -2.700 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 299.153 Da |
| Monoisotopic Mass | 299.153 Da |
| Topological Polar Surface Area | 119.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 380.000 |
| Isotope Atom Count | 5 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
