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Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | CC1C(C(NC1=O)(C(C(C)C)O)C(=O)SCC(C(=O)O)NC(=O)C)O |
|---|---|
| IUPAC Name | (2R)-2-acetamido-3-[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoic acid |
| InChIKey | DAQAKHDKYAWHCG-RWTHQLGUSA-N |
| INCHI | 1S/C15H24N2O7S/c1-6(2)10(19)15(11(20)7(3)12(21)17-15)14(24)25-5-9(13(22)23)16-8(4)18/h6-7,9-11,19-20H,5H2,1-4H3,(H,16,18)(H,17,21)(H,22,23)/t7-,9+,10+,11+,15-/m1/s1 |
| Isómeros SMILES | C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SC[C@@H](C(=O)O)NC(=O)C)O |
| Peso molecular | 376.43 |
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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 - N-acyl-alpha amino acids and derivatives - N-acyl-alpha amino acids |
| Direct Parent | N-acyl-L-alpha-amino acids |
| Alternative Parents | Cysteine and derivatives Pyrrolidine carboxylic acids and derivatives Branched fatty acids Heterocyclic fatty acids Hydroxy fatty acids Pyrrolidine-2-ones Acetamides Thioesters Carbothioic S-esters Secondary carboxylic acid amides Secondary alcohols Lactams Sulfenyl compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | N-acyl-l-alpha-amino acid - Cysteine or derivatives - Pyrrolidine carboxylic acid or derivatives - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Pyrrolidone - Fatty acyl - Fatty acid - 2-pyrrolidone - Pyrrolidine - Acetamide - Carboxamide group - Lactam - Secondary alcohol - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Carbothioic s-ester - Organoheterocyclic compound - Azacycle - Carboxylic acid - Sulfenyl compound - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Alcohol - Organic oxide - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. |
| External Descriptors | lactam - S-substituted L-cysteine |
| Sensibilidad | light sensitive |
|---|---|
| Peso molecular | 376.400 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 376.13 Da |
| Monoisotopic Mass | 376.13 Da |
| Topological Polar Surface Area | 178.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 568.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |
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