Determine the necessary mass, volume, or concentration for preparing a solution.
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≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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.
Product Describtion:
Bentiromide is a peptide that is broken down in the pancreas by chymotrypsin. The bentiromide test is an excellent means of confirming the diagnosis of pancreatic exocrine insufficiency by outpatient test of chymotrypsin function.
| pKa | pKₐ: 4.27 (Predicted) |
|---|
| Canonical Smiles | C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)C(=O)O |
|---|---|
| IUPAC Name | 4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid |
| InChIKey | SPPTWHFVYKCNNK-FQEVSTJZSA-N |
| INCHI | 1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)/t20-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)C(=O)O |
| Molecular Weight | 404.42 |
| Beilstein | 2910938 |
| Reaxy-Rn | 25093431 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25093431&ln= |
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 |
| Direct Parent | Tyrosine and derivatives |
| Alternative Parents | Phenylalanine and derivatives Acylaminobenzoic acid and derivatives Hippuric acids and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Amphetamines and derivatives Anilides Benzoic acids N-arylamides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Fatty amides Secondary carboxylic acid amides Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tyrosine or derivatives - Phenylalanine or derivatives - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Acylaminobenzoic acid or derivatives - Alpha-amino acid amide - Amphetamine or derivatives - Benzoic acid or derivatives - Anilide - Benzoic acid - Benzamide - N-arylamide - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | dipeptide |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Nov 11, 2025 | B349771 | |
| Certificate of Analysis | Nov 11, 2025 | B349771 | |
| Certificate of Analysis | Nov 11, 2025 | B349771 | |
| Certificate of Analysis | Nov 11, 2025 | B349771 |
| Sensitivity | Moisture sensitive |
|---|---|
| Refractive Index | n20D1.68 (Predicted) |
| Specific Rotation[α] | α24D+85.5°±1°, c = 1 in DMF |
| Boil Point(°C) | ~797.1° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 307.88° C (Predicted) |
| Molecular Weight | 404.400 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 404.137 Da |
| Monoisotopic Mass | 404.137 Da |
| Topological Polar Surface Area | 116.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 588.000 |
| 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 | 1 |