≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504770561 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770561 |
| Canonical Smiles | C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(SC=C3)C(=O)NC(CCCN=C(N)N)C(=O)O.C(=O)(C(F)(F)F)O |
| IUPAC Name | (2S)-2-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)thiophene-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid;2,2,2-trifluoroacetic acid |
| InChIKey | ZYQBITUOSRZDTG-MERQFXBCSA-N |
| INCHI | 1S/C17H19N7O5S3.C2HF3O2/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9;3-2(4,5)1(6)7/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20);(H,6,7)/t11-;/m0./s1 |
| Isomeric SMILES | C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(SC=C3)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O.C(=O)(C(F)(F)F)O |
| PubChem CID | 45142253 |
| Molecular Weight | 611.59 |
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 | Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives |
| Direct Parent | N-acyl-alpha amino acids |
| Alternative Parents | Benzothiadiazoles 2-heteroaryl carboxamides Thiophene carboxamides Benzenoids Organosulfonamides Alpha-halocarboxylic acids Aminosulfonyl compounds Vinylogous amides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboximidamides Carboxylic acids Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | N-acyl-alpha-amino acid - 2,1,3-benzothiadiazole - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Vinylogous amide - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Sulfonyl - Aminosulfonyl compound - Thiophene - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Thiadiazole - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Alkyl halide - Organonitrogen compound - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. |
| 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 |
|---|---|---|---|
 K2309647 | Certificate of Analysis | Oct 30, 2023 | E287676 |
| K2309657 | Certificate of Analysis | Oct 30, 2023 | E287676 |
| K2309658 | Certificate of Analysis | Oct 30, 2023 | E287676 |
| K2309662 | Certificate of Analysis | Oct 30, 2023 | E287676 |
| K2309663 | Certificate of Analysis | Oct 30, 2023 | E287676 |
| K2309664 | Certificate of Analysis | Oct 30, 2023 | E287676 |
| K2309665 | Certificate of Analysis | Oct 30, 2023 | E287676 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 61.16, Max Conc. mM: 100; Solvent:2eq. NaOH, Max Conc. mg/mL: 61.16, Max Conc. mM: 100 |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 611.600 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 16 |
| Rotatable Bond Count | 10 |
| Exact Mass | 611.054 Da |
| Monoisotopic Mass | 611.054 Da |
| Topological Polar Surface Area | 305.000 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 901.000 |
| 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 |
