≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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)NC(CSCNC(=O)CC1=CC=CC=C1)C(=O)O |
|---|---|
| IUPAC Name | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[(2-phenylacetyl)amino]methylsulfanyl]propanoic acid |
| InChIKey | PJBKUXHWPDGAQA-CYBMUJFWSA-N |
| INCHI | 1S/C17H24N2O5S/c1-17(2,3)24-16(23)19-13(15(21)22)10-25-11-18-14(20)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)/t13-/m1/s1 |
| Isomeric SMILES | CC(C)(C)OC(=O)N[C@H](CSCNC(=O)CC1=CC=CC=C1)C(=O)O |
| PubChem CID | 71463941 |
| Molecular Weight | 368.4 |
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 | Cysteine and derivatives |
| Alternative Parents | S-alkyl-L-cysteines Phenylacetamides N,S-acetals Carbamate esters Secondary carboxylic acid amides Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Cysteine or derivatives - S-alkyl-l-cysteine - Phenylacetamide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - N,s-acetal - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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 |
| Molecular Weight | 368.400 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 368.141 Da |
| Monoisotopic Mass | 368.141 Da |
| Topological Polar Surface Area | 130.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 458.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
