≥95% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504753921 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753921 |
| Canonical Smiles | CC(C(=O)NC1C(SC1(C)C)(C)C)NC(=O)C(CC(=O)O)N |
| IUPAC Name | (3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-[(2,2,4,4-tetramethylthietan-3-yl)amino]propan-2-yl]amino]butanoic acid |
| InChIKey | IVBOUFAWPCPFTQ-SFYZADRCSA-N |
| INCHI | 1S/C14H25N3O4S/c1-7(16-11(21)8(15)6-9(18)19)10(20)17-12-13(2,3)22-14(12,4)5/h7-8,12H,6,15H2,1-5H3,(H,16,21)(H,17,20)(H,18,19)/t7-,8+/m1/s1 |
| Isomeric SMILES | C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N |
| Molecular Weight | 331.4 |
| Reaxy-Rn | 24736517 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24736517&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 | Peptides |
| Direct Parent | Dipeptides |
| Alternative Parents | Aspartic acid and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Heterocyclic fatty acids N-acyl amines Thietanes Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha-dipeptide - Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Heterocyclic fatty acid - N-acyl-amine - Fatty amide - Fatty acid - Fatty acyl - Thietane - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Dialkylthioether - Thioether - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Aliphatic heteromonocyclic compound |
| Description | This compound 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. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2525081 | Certificate of Analysis | Jul 08, 2025 | A186704 |
| E2216032 | Certificate of Analysis | Feb 07, 2025 | A186704 |
| E2216045 | Certificate of Analysis | Feb 07, 2025 | A186704 |
| E2216046 | Certificate of Analysis | Feb 07, 2025 | A186704 |
| K2104005 | Certificate of Analysis | Aug 20, 2024 | A186704 |
| K2104006 | Certificate of Analysis | Aug 20, 2024 | A186704 |
| A2402131 | Certificate of Analysis | Mar 02, 2022 | A186704 |
| Molecular Weight | 331.430 g/mol |
|---|---|
| XLogP3 | -2.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 331.157 Da |
| Monoisotopic Mass | 331.157 Da |
| Topological Polar Surface Area | 147.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 465.000 |
| Isotope Atom Count | 0 |
| 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 |
| 1. Ferry Saputra, Yu-Heng Lai, Rey Arturo T. Fernandez, Allan Patrick G. Macabeo, Hong-Thih Lai, Jong-Chin Huang, Chung-Der Hsiao. (2021) Acute and Sub-Chronic Exposure to Artificial Sweeteners at the Highest Environmentally Relevant Concentration Induce Less Cardiovascular Physiology Alterations in Zebrafish Larvae. Biology-Basel, 10 (6): (548). [PMID:34207293] [10.3390/biology10060548] |
