≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
| Pubchem Sid | 504758617 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758617 |
| Canonical Smiles | C1=CC=C(C=C1)COC(=O)NC(CSSCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)O |
| IUPAC Name | (2R)-3-[[(2R)-2-carboxy-2-(phenylmethoxycarbonylamino)ethyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoic acid |
| InChIKey | PTRQEEVKHMDMCF-ROUUACIJSA-N |
| INCHI | 1S/C22H24N2O8S2/c25-19(26)17(23-21(29)31-11-15-7-3-1-4-8-15)13-33-34-14-18(20(27)28)24-22(30)32-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,29)(H,24,30)(H,25,26)(H,27,28)/t17-,18-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)N[C@@H](CSSC[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2)C(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 508.56 |
| Beilstein | 2550640 |
| Reaxy-Rn | 2032797 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2032797&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 | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Cysteine and derivatives |
| Alternative Parents | Benzyloxycarbonyls Dicarboxylic acids and derivatives Carbamate esters Organic carbonic acids and derivatives Dialkyldisulfides Sulfenyl compounds Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cysteine or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Carbamic acid ester - Carbonic acid derivative - Dialkyldisulfide - Organic disulfide - Carboxylic acid - Sulfenyl compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cysteine and derivatives. These are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Solubility | Soluble in methanol |
|---|---|
| Specific Rotation[α] | -91 ° (C=8.8, AcOH) |
| Melt Point(°C) | 118-122°C |
| Molecular Weight | 508.600 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 15 |
| Exact Mass | 508.097 Da |
| Monoisotopic Mass | 508.097 Da |
| Topological Polar Surface Area | 202.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 613.000 |
| 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 |
K2129427