≥95% 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.
| Sonrisas canónicas | CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)N)O)N3CCCNC3=O.C1CC(=O)N[C@@H]1C(=O)O |
|---|---|
| IUPAC Name | (2S)-N-[(2S,4S,5S)-5-amino-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide;(2S)-5-oxopyrrolidine-2-carboxylic acid |
| InChIKey | XTNBASMLUMHKST-JBINCMMUSA-N |
| INCHI | 1S/C27H38N4O3.C5H7NO3/c1-19(2)25(31-15-9-14-29-27(31)34)26(33)30-22(16-20-10-5-3-6-11-20)18-24(32)23(28)17-21-12-7-4-8-13-21;7-4-2-1-3(6-4)5(8)9/h3-8,10-13,19,22-25,32H,9,14-18,28H2,1-2H3,(H,29,34)(H,30,33);3H,1-2H2,(H,6,7)(H,8,9)/t22-,23-,24-,25-;3-/m00/s1 |
| Peso molecular | 595.700 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Valine and derivatives |
| Alternative Parents | Proline and derivatives Amphetamines and derivatives Oxoprolines Pyrrolidine carboxylic acids Aralkylamines Pyrimidones Diazinanes N-acyl amines Pyrrolidine-2-ones Ureas Lactams 1,2-aminoalcohols Secondary carboxylic acid amides Secondary alcohols Tertiary amines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Valine or derivatives - Proline or derivatives - Amphetamine or derivatives - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrimidone - Aralkylamine - Monocyclic benzene moiety - 1,3-diazinane - Fatty amide - N-acyl-amine - Pyrimidine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Fatty acyl - Pyrrolidine - Carboxamide group - Urea - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Lactam - Azacycle - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Primary aliphatic amine - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Organic oxide - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Peso molecular | 595.700 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 12 |
| Exact Mass | 595.337 Da |
| Monoisotopic Mass | 595.337 Da |
| Topological Polar Surface Area | 174.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 786.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| 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 |
