≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)([C@@H](C(=O)NO)NC(=O)C1=CC=C(C=C1)C#CC#C[C@@H]2C[C@H]2CO)N.C(=O)(C(F)(F)F)O |
|---|---|
| IUPAC Name | N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide;2,2,2-trifluoroacetic acid |
| InChIKey | JDWOCPXDDCJBBA-UNLWNTODSA-N |
| INCHI | 1S/C20H23N3O4.C2HF3O2/c1-20(2,21)17(19(26)23-27)22-18(25)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)12-24;3-2(4,5)1(6)7/h7-10,15-17,24,27H,11-12,21H2,1-2H3,(H,22,25)(H,23,26);(H,6,7)/t15-,16+,17-;/m1./s1 |
| Molecular Weight | 483.400 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Benzamides |
| Direct Parent | Hippuric acids and derivatives |
| Alternative Parents | Valine and derivatives N-acyl-alpha amino acids and derivatives Beta amino acids and derivatives Benzoyl derivatives Alpha-halocarboxylic acids Secondary carboxylic acid amides Hydroxamic acids Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organopnictogen compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Not available |
| Substituents | Valine or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Beta amino acid or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Benzoyl - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Secondary carboxylic acid amide - Hydroxamic acid - Carboxamide group - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine. |
| External Descriptors | Not available |
| Molecular Weight | 483.400 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 483.162 Da |
| Monoisotopic Mass | 483.162 Da |
| Topological Polar Surface Area | 162.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 781.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
![(2S)-3-amino-N-hydroxy-2-[(4-{4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta-1,3-diyn-1-yl}phenyl)formamido]-3-methylbutanamide; trifluoroacetic acid - ≥99% CAS No(1410809-37-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/S/9/S964457.jpg)