analytical standard, ≥95% Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Sonrisas canónicas | CCOC(=O)C(CCC1=CC=CC=C1)NC2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl |
|---|---|
| IUPAC Name | 2-[(3R)-3-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid;hydrochloride |
| InChIKey | VPSRQEHTHIMDQM-GZJHNZOKSA-N |
| INCHI | 1S/C24H28N2O5.ClH/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28;/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28);1H/t19-,20-;/m1./s1 |
| Isómeros SMILES | CCOC(=O)[C@@H](CCC1=CC=CC=C1)N[C@@H]2CCC3=CC=CC=C3N(C2=O)CC(=O)O.Cl |
| PubChem CID | 56924237 |
| Peso molecular | 460.95 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Clase | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Alpha amino acid esters |
| Alternative Parents | Benzazepines Aralkylamines Azepines Fatty acid esters Dicarboxylic acids and derivatives Benzene and substituted derivatives Tertiary carboxylic acid amides Tertiary amines Amino acids Lactams Carboxylic acid esters Azacyclic compounds Dialkylamines Carboxylic acids Hydrocarbon derivatives Hydrochlorides Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid ester - Benzazepine - Azepine - Fatty acid ester - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Tertiary carboxylic acid amide - Amino acid - Carboxamide group - Carboxylic acid ester - Lactam - Tertiary amine - Azacycle - Secondary aliphatic amine - Carboxylic acid - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxide - Hydrochloride - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. |
| External Descriptors | Not available |
| Peso molecular | 460.900 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 460.176 Da |
| Monoisotopic Mass | 460.176 Da |
| Topological Polar Surface Area | 95.900 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 619.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
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