Determine the necessary mass, volume, or concentration for preparing a solution.
10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Substrate for trypsin, thrombin, plasmin,and other proteases.
| Sonrisas canónicas | CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC.Cl |
|---|---|
| IUPAC Name | methyl (2S)-5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonylamino]pentanoate;hydrochloride |
| InChIKey | JIQFFACVQXXHMY-YDALLXLXSA-N |
| INCHI | 1S/C14H22N4O4S.ClH/c1-10-5-7-11(8-6-10)23(20,21)18-12(13(19)22-2)4-3-9-17-14(15)16;/h5-8,12,18H,3-4,9H2,1-2H3,(H4,15,16,17);1H/t12-;/m0./s1 |
| Isómeros SMILES | CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N)C(=O)OC.Cl |
| WGK Alemania | 3 |
| PubChem CID | 2723792 |
| Peso molecular | 378.87 |
| Beilstein | 3922357 |
| Reaxy-Rn | 10499395 |
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 |
| 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 | Alpha amino acid esters |
| Alternative Parents | P-toluenesulfonamides Benzenesulfonamides Benzenesulfonyl compounds Fatty acid esters Organosulfonamides Aminosulfonyl compounds Methyl esters Guanidines Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboximidamides Hydrocarbon derivatives Carbonyl compounds Hydrochlorides Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid ester - P-toluenesulfonamide - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Fatty acid ester - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Fatty acyl - Methyl ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Rotación específica [α] | -14 ° (C=4, H2O) |
|---|---|
| Punto de fusión (°C) | 146-149°C |
| Peso molecular | 378.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 378.113 Da |
| Monoisotopic Mass | 378.113 Da |
| Topological Polar Surface Area | 145.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 503.000 |
| 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 | 2 |
| 1. Hanfei Ye, Wenwen Yu. (2023) Different influences of dietary fiber from various sources on the in vitro digestibility of casein as uncovered by the study of protein-dietary fiber interactions. FOOD RESEARCH INTERNATIONAL, [PMID:38163735] [10.1016/j.foodres.2023.113845] |
| 2. Jinye Lin, Hanfei Ye, Tao Huang, Meng Wang, Jia Liu, Wenwen Yu. (2024) Combined techniques for revealing the mechanism beneath the inhibition effects of pectin on gluten digestibility using static in vitro gastro-duodenal protocols. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, [PMID:38688790] [10.1016/j.ijbiomac.2024.131690] |
| 3. Hanfei Ye, Jinqi Shen, Shulin Deng, Wenwen Yu. (2024) Mechanistic Insights into Lignin’s Inhibition of Gluten Digestibility: Evidence from In Vitro Static Digestion. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, [PMID:39652746] [10.1021/acs.jafc.4c09815] |