for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
| Sonrisas canónicas | CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)OC(C)(C)C)O |
|---|---|
| IUPAC Name | tert-butyl (2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate |
| InChIKey | VIZXDTKPCYVSLL-SJORKVTESA-N |
| INCHI | 1S/C21H27N3O4S/c1-13-18(29-12-23-13)15-7-5-14(6-8-15)10-22-19(26)17-9-16(25)11-24(17)20(27)28-21(2,3)4/h5-8,12,16-17,25H,9-11H2,1-4H3,(H,22,26)/t16-,17+/m1/s1 |
| Peso molecular | 417.500 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Proline and derivatives |
| Alternative Parents | Alpha amino acid amides Pyrrolidinecarboxamides Pyrrolidine carboxylic acids 4,5-disubstituted thiazoles Benzene and substituted derivatives Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Proline or derivatives - Alpha-amino acid amide - Pyrrolidine carboxylic acid - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - 4,5-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Carbamic acid ester - Thiazole - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Alcohol - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Peso molecular | 417.500 g/mol |
|---|---|
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 417.172 Da |
| Monoisotopic Mass | 417.172 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 589.000 |
| 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 |
