≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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.
| Canonical Smiles | CCC(CC)(C(=O)NC(CCCN=C(N)N)C(=O)NC1(CCCC1)C(=O)NC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)NC(=O)C(C)C.C(=O)(C(F)(F)F)O |
|---|---|
| IUPAC Name | N-[bis(4-fluorophenyl)methyl]-1-[[(2S)-5-(diaminomethylideneamino)-2-[[2-ethyl-2-(2-methylpropanoylamino)butanoyl]amino]pentanoyl]amino]cyclopentane-1-carboxamide;2,2,2-trifluoroacetic acid |
| InChIKey | ZRKTWBXVGMHWHM-YCBFMBTMSA-N |
| INCHI | 1S/C35H49F2N7O4.C2HF3O2/c1-5-34(6-2,43-29(45)22(3)4)31(47)41-27(10-9-21-40-33(38)39)30(46)44-35(19-7-8-20-35)32(48)42-28(23-11-15-25(36)16-12-23)24-13-17-26(37)18-14-24;3-2(4,5)1(6)7/h11-18,22,27-28H,5-10,19-21H2,1-4H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H4,38,39,40);(H,6,7)/t27-;/m0./s1 |
| Isomeric SMILES | CCC(CC)(C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1(CCCC1)C(=O)NC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)NC(=O)C(C)C.C(=O)(C(F)(F)F)O |
| PubChem CID | 71520620 |
| Molecular Weight | 783.83 |
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 | Peptides |
| Direct Parent | Oligopeptides |
| Alternative Parents | Diphenylmethanes N-acyl-alpha amino acids and derivatives Alpha amino acid amides Fluorobenzenes Aryl fluorides N-acyl amines Alpha-halocarboxylic acids Secondary carboxylic acid amides Guanidines Carboxylic acids Carboximidamides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Alkyl fluorides Organic oxides Organofluorides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Alpha-oligopeptide - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - N-acyl-amine - Benzenoid - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Guanidine - Secondary carboxylic acid amide - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Carboximidamide - Carboxylic acid - Organohalogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2416215 | Certificate of Analysis | Dec 25, 2024 | M286572 |
| J2127403 | Certificate of Analysis | Aug 13, 2024 | M286572 |
| J2127406 | Certificate of Analysis | Aug 13, 2024 | M286572 |
| J2127427 | Certificate of Analysis | Aug 13, 2024 | M286572 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 66.98, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 783.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 16 |
| Exact Mass | 783.374 Da |
| Monoisotopic Mass | 783.374 Da |
| Topological Polar Surface Area | 218.000 Ų |
| Heavy Atom Count | 55 |
| Formal Charge | 0 |
| Complexity | 1170.000 |
| 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 | 2 |
