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=CC=CC=C1C2=C(C=CC(=C2)CNCC3=CN=CN3)C(=O)N[C@@H](CCSC)C(=O)O |
|---|---|
| IUPAC Name | (2S)-2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid |
| InChIKey | KULAYTGUTXCHSV-QFIPXVFZSA-N |
| INCHI | 1S/C24H28N4O3S/c1-16-5-3-4-6-19(16)21-11-17(12-25-13-18-14-26-15-27-18)7-8-20(21)23(29)28-22(24(30)31)9-10-32-2/h3-8,11,14-15,22,25H,9-10,12-13H2,1-2H3,(H,26,27)(H,28,29)(H,30,31)/t22-/m0/s1 |
| Peso molecular | 452.6 |
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 | Methionine and derivatives |
| Alternative Parents | Hippuric acids N-acyl-alpha amino acids Biphenyls and derivatives Benzoyl derivatives Benzylamines Imidazolyl carboxylic acids and derivatives Phenylmethylamines Toluenes Aralkylamines Thia fatty acids Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Dialkylamines Carboxylic acids Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Methionine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - Hippuric acid or derivatives - Biphenyl - Benzamide - Benzoic acid or derivatives - Imidazolyl carboxylic acid derivative - Phenylmethylamine - Benzoyl - Benzylamine - Thia fatty acid - Toluene - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Azole - Heteroaromatic compound - Imidazole - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carboxylic acid - Secondary aliphatic amine - Thioether - Secondary amine - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine 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 | 452.600 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 452.188 Da |
| Monoisotopic Mass | 452.188 Da |
| Topological Polar Surface Area | 132.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 608.000 |
| 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 |
![(2S)-2-[(4-{[(1H-imidazol-4-ylmethyl)amino]methyl}-2-(2-methylphenyl)phenyl)formamido]-4-(methylsulfanyl)butanoic acid - CAS No(251577-09-0) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/1/S1225256.jpg)