≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504756127 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504756127 |
| Canonical Smiles | CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O |
| IUPAC Name | (2R,4R)-1-[(2S)-5-(diaminomethylideneamino)-2-[(3-methyl-1,2,3,4-tetrahydroquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid;hydrate |
| InChIKey | AIEZTKLTLCMZIA-CZSXTPSTSA-N |
| INCHI | 1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-,15?,17+,18-;/m1./s1 |
| Isomeric SMILES | C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C.O |
| WGK Germany | 3 |
| RTECS | TM6126610 |
| PubChem CID | 92721 |
| Molecular Weight | 508.64 |
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 | Alpha amino acid amides Hydroquinolines Piperidinecarboxylic acids N-acylpiperidines Secondary alkylarylamines Aralkylamines Benzenoids Organosulfonamides Tertiary carboxylic acid amides Aminosulfonyl compounds Amino acids Guanidines Carboxylic acids Carboximidamides Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-dipeptide - Alpha-amino acid amide - Alpha-amino acid or derivatives - Tetrahydroquinoline - N-acyl-piperidine - Piperidinecarboxylic acid - Secondary aliphatic/aromatic amine - Aralkylamine - Piperidine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Amino acid or derivatives - Amino acid - Carboxamide group - Guanidine - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Secondary amine - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2228040 | Certificate of Analysis | Dec 12, 2025 | A151030 |
| B2519092 | Certificate of Analysis | Feb 22, 2025 | A151030 |
| A2007109 | Certificate of Analysis | Oct 07, 2023 | A151030 |
| A2003002 | Certificate of Analysis | Sep 28, 2023 | A151030 |
| A2425082 | Certificate of Analysis | Aug 16, 2023 | A151030 |
| H2309574 | Certificate of Analysis | Aug 16, 2023 | A151030 |
| C2306846 | Certificate of Analysis | Mar 16, 2023 | A151030 |
| Solubility | Insoluble in water; Slightly soluble in Methanol; Very slightly soluble in Ethanol; Insoluble in Acetone,Ether |
|---|---|
| Sensitivity | Light Sensitive,Heat Sensitive |
| Specific Rotation[α] | 165° (C=0.8,MeOH) |
| Melt Point(°C) | 180 °C(dec.) |
| Molecular Weight | 526.700 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 9 |
| Exact Mass | 526.257 Da |
| Monoisotopic Mass | 526.257 Da |
| Topological Polar Surface Area | 190.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 887.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
| 1. Juan Wang, Mengmeng Song, Chengguo Hu, Kangbing Wu. (2018) Portable, Self-Powered, and Light-Addressable Photoelectrochemical Sensing Platforms Using pH Meter Readouts for High-Throughput Screening of Thrombin Inhibitor Drugs. ANALYTICAL CHEMISTRY, [PMID:29998727] [10.1021/acs.analchem.8b01979] |
