10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Application
FSLLRY-NH2 trifluoroacetate salt has been used as a protease-activated receptor 2 (PAR2) inhibitor to test its effects on urinary tract infections (UTIs) in a murine model. It has also been used to study the clinical itch datasets from phase 3 clinical trials for moderate-to-severe AD in atopic dermatitis (AD)-associated acute itch flare mice modelin rats.
| Canonical Smiles | CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC2=CC=CC=C2)N |
|---|---|
| IUPAC Name | (2S)-N-[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide |
| InChIKey | KMSCNWHRNILNRJ-JNRWAQIZSA-N |
| INCHI | 1S/C39H60N10O8/c1-22(2)17-30(36(55)45-28(11-8-16-44-39(42)43)35(54)46-29(33(41)52)20-25-12-14-26(51)15-13-25)47-37(56)31(18-23(3)4)48-38(57)32(21-50)49-34(53)27(40)19-24-9-6-5-7-10-24/h5-7,9-10,12-15,22-23,27-32,50-51H,8,11,16-21,40H2,1-4H3,(H2,41,52)(H,45,55)(H,46,54)(H,47,56)(H,48,57)(H,49,53)(H4,42,43,44)/t27-,28-,29-,30-,31-,32-/m0/s1 |
| Isomeric SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)N |
| PubChem CID | 73352412 |
| Molecular Weight | 796.96 |
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 | Tyrosine and derivatives Phenylalanine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Serine and derivatives Alpha amino acid amides Amphetamines and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines N-acyl amines Secondary carboxylic acid amides Primary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carbonyl compounds Primary alcohols Hydrocarbon derivatives Organic oxides Monoalkylamines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Serine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - N-acyl-amine - Fatty amide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Guanidine - Amino acid or derivatives - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Alcohol - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen 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 |
| Molecular Weight | 797.000 g/mol |
|---|---|
| XLogP3 | 0.600 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 24 |
| Exact Mass | 796.46 Da |
| Monoisotopic Mass | 796.46 Da |
| Topological Polar Surface Area | 319.000 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1330.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| 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 |
