≥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.
| Canonical Smiles | CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)C(C(F)F)O)C(F)(F)F)F |
|---|---|
| IUPAC Name | (2S)-N-(1-cyanocyclopropyl)-2-[[(1S)-1-[4-[4-[(1R)-2,2-difluoro-1-hydroxyethyl]phenyl]phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanamide |
| InChIKey | YTEORGORWDMMRK-HBMCJLEFSA-N |
| INCHI | 1S/C26H27F6N3O2/c1-24(2,29)13-19(23(37)35-25(14-33)11-12-25)34-21(26(30,31)32)18-9-5-16(6-10-18)15-3-7-17(8-4-15)20(36)22(27)28/h3-10,19-22,34,36H,11-13H2,1-2H3,(H,35,37)/t19-,20+,21-/m0/s1 |
| Isomeric SMILES | CC(C)(C[C@@H](C(=O)NC1(CC1)C#N)N[C@@H](C2=CC=C(C=C2)C3=CC=C(C=C3)[C@H](C(F)F)O)C(F)(F)F)F |
| Alternate CAS | 887781-62-6 |
| PubChem CID | 16666183 |
| MeSH Entry Terms | MK 0674;MK-0674;MK0674 |
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 | Leucine and derivatives |
| Alternative Parents | Biphenyls and derivatives Alpha amino acid amides Aralkylamines N-acyl amines Secondary carboxylic acid amides Secondary alcohols Fluorohydrins Nitriles Dialkylamines Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Leucine or derivatives - Alpha-amino acid amide - Biphenyl - Aralkylamine - N-acyl-amine - Fatty amide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Secondary carboxylic acid amide - Secondary alcohol - Halohydrin - Fluorohydrin - Carboxamide group - Carbonitrile - Secondary amine - Nitrile - Secondary aliphatic amine - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as leucine and derivatives. These are compounds containing leucine or a derivative thereof resulting from reaction of leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 527.500 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 527.201 Da |
| Monoisotopic Mass | 527.201 Da |
| Topological Polar Surface Area | 85.200 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 822.000 |
| 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 | 1 |
