≥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 | CCCCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O |
|---|---|
| IUPAC Name | (2S)-1-[(2S)-2-[[(2S)-1-butoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid |
| InChIKey | ANOQNYRWFAERCM-WDSOQIARSA-N |
| INCHI | 1S/C22H32N2O5/c1-3-4-15-29-22(28)18(13-12-17-9-6-5-7-10-17)23-16(2)20(25)24-14-8-11-19(24)21(26)27/h5-7,9-10,16,18-19,23H,3-4,8,11-15H2,1-2H3,(H,26,27)/t16-,18-,19-/m0/s1 |
| Molecular Weight | 404.500 |
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 | Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid esters Alpha amino acid amides Pyrrolidine carboxylic acids N-acylpyrrolidines Fatty acid esters Aralkylamines Dicarboxylic acids and derivatives Benzene and substituted derivatives Tertiary carboxylic acid amides Amino acids Carboxylic acid esters Dialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Alpha-dipeptide - Alpha-amino acid ester - Proline or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Fatty acyl - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Carboxylic acid ester - Azacycle - Secondary aliphatic amine - Carboxylic acid - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic 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 |
| Molecular Weight | 404.500 g/mol |
|---|---|
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 404.231 Da |
| Monoisotopic Mass | 404.231 Da |
| Topological Polar Surface Area | 95.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 547.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
