≥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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C(C(C(=O)NCC(=O)O)N)SSCC(C(=O)NCC(=O)O)N |
|---|---|
| IUPAC Name | 2-[[2-amino-3-[[2-amino-3-(carboxymethylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]acetic acid |
| InChIKey | KDJVKDYFFTWHBO-UHFFFAOYSA-N |
| INCHI | 1S/C10H18N4O6S2/c11-5(9(19)13-1-7(15)16)3-21-22-4-6(12)10(20)14-2-8(17)18/h5-6H,1-4,11-12H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18) |
| Isomeric SMILES | C(C(C(=O)NCC(=O)O)N)SSCC(C(=O)NCC(=O)O)N |
| WGK Germany | 3 |
| Molecular Weight | 354.40 |
| Reaxy-Rn | 2177179 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2177179&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 | N-acyl-alpha amino acids Cysteine and derivatives Alpha amino acid amides Dicarboxylic acids and derivatives Secondary carboxylic acid amides Dialkyldisulfides Amino acids Sulfenyl compounds Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-dipeptide - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - Amino acid or derivatives - Carboxamide group - Amino acid - Organic disulfide - Secondary carboxylic acid amide - Dialkyldisulfide - Carboxylic acid - Sulfenyl compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Aliphatic acyclic 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 |
| Molecular Weight | 354.400 g/mol |
|---|---|
| XLogP3 | -7.600 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 354.067 Da |
| Monoisotopic Mass | 354.067 Da |
| Topological Polar Surface Area | 235.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
K2504147