Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | NCCCC[C@@H](C(=O)O)NC(=O)c1ccc(c(c1)NC(=O)[C@H](CCc1ccccc1)N)N |
|---|---|
| IUPAC Name | (2S)-6-amino-2-[[4-amino-3-[[(2S)-2-amino-4-phenylbutanoyl]amino]benzoyl]amino]hexanoic acid |
| InChIKey | XPUCDWKMNQBXIH-OALUTQOASA-N |
| INCHI | 1S/C23H31N5O4/c24-13-5-4-8-19(23(31)32)27-21(29)16-10-12-17(25)20(14-16)28-22(30)18(26)11-9-15-6-2-1-3-7-15/h1-3,6-7,10,12,14,18-19H,4-5,8-9,11,13,24-26H2,(H,27,29)(H,28,30)(H,31,32)/t18-,19-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)CC[C@@H](C(=O)NC2=C(C=CC(=C2)C(=O)N[C@@H](CCCCN)C(=O)O)N)N |
| PubChem CID | 71817810 |
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 | Not available |
| Direct Parent | Acylaminobenzoic acid and derivatives |
| Alternative Parents | N-acyl-alpha amino acids Hippuric acids Alpha amino acid amides 2'-Aminoanilides Aminobenzamides N-arylamides Medium-chain fatty acids Aniline and substituted anilines Benzoyl derivatives Amino fatty acids Aralkylamines Fatty amides Secondary carboxylic acid amides Amino acids Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Monoalkylamines Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Acylaminobenzoic acid or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - 2'-aminoanilide - Aminobenzamide - Aminobenzoic acid or derivatives - Benzamide - Anilide - Benzoyl - Aniline or substituted anilines - Medium-chain fatty acid - N-arylamide - Amino fatty acid - Aralkylamine - Fatty amide - Fatty acid - Fatty acyl - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated. |
| External Descriptors | Not available |
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