≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CC(C)(C)OC(=O)C(CSSCC(C(=O)OC(C)(C)C)N)N.Cl.Cl |
|---|---|
| IUPAC Name | tert-butyl (2R)-2-amino-3-[[(2R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]disulfanyl]propanoate;dihydrochloride |
| InChIKey | QEFUTIQOPVMOJQ-BZDVOYDHSA-N |
| INCHI | 1S/C14H28N2O4S2.2ClH/c1-13(2,3)19-11(17)9(15)7-21-22-8-10(16)12(18)20-14(4,5)6;;/h9-10H,7-8,15-16H2,1-6H3;2*1H/t9-,10-;;/m0../s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)[C@H](CSSC[C@@H](C(=O)OC(C)(C)C)N)N.Cl.Cl |
| PubChem CID | 56777151 |
| Molecular Weight | 425.4 |
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 | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Cysteine and derivatives Dicarboxylic acids and derivatives Dialkyldisulfides Carboxylic acid esters Sulfenyl compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Alpha-amino acid ester - Cysteine or derivatives - Dicarboxylic acid or derivatives - Carboxylic acid ester - Organic disulfide - Dialkyldisulfide - Sulfenyl compound - Organic nitrogen compound - Hydrochloride - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Molecular Weight | 425.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 424.102 Da |
| Monoisotopic Mass | 424.102 Da |
| Topological Polar Surface Area | 155.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 342.000 |
| 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 | 3 |
