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Applications
Enzymes
Peptidases and proteinases
(2S)-N-[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-4-{[(2S)-2-methylbutyl]carbamoyl}butan-2-yl]-2-[(2S)-2-[(morpholine-4-sulfonyl)amino]-3-phenylpropanamido]pent-4-enamide , CAS No.S609090, Inhibitor of cathepsin E
(2S)-N-[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-4-{[(2S)-2-methylbutyl]carbamoyl}butan-2-yl]-2-[(2S)-2-[(morpholine-4-sulfonyl)amino]-3-phenylpropanamido]pent-4-enamide , CAS No.S609090, Inhibitor of cathepsin E
Basic Description
Synonyms
compound 2
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of cathepsin E
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Peptidomimetics
Subclass
Hybrid peptides
Intermediate Tree Nodes
Not available
Direct Parent
Hybrid peptides
Alternative Parents
Dipeptides Phenylalanine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Gamma amino acids and derivatives Amphetamines and derivatives Sulfuric acid diamides N-acyl amines Morpholines Secondary carboxylic acid amides Secondary alcohols Fluorohydrins Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Alkyl fluorides Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hybrid peptide - Alpha-dipeptide - Phenylalanine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Gamma amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Monocyclic benzene moiety - Fatty amide - Morpholine - N-acyl-amine - Sulfuric acid diamide - Oxazinane - Benzenoid - Fatty acyl - Organic sulfuric acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Halohydrin - Fluorohydrin - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Ether - Organofluoride - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Organic nitrogen compound - Carbonyl group - Alcohol - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
(2S)-N-[(2S,3R)-1-cyclohexyl-4,4-difluoro-3-hydroxy-4-{[(2S)-2-methylbutyl]carbamoyl}butan-2-yl]-2-[(2S)-2-[(morpholine-4-sulfonyl)amino]-3-phenylpropanamido]pent-4-enamide
INCHI
InChI=1S/C34H53F2N5O7S/c1-4-12-27(38-32(44)29(22-26-15-10-7-11-16-26)40-49(46,47)41-17-19-48-20-18-41)31(43)39-28(21-25-13-8-6-9-14-25)30(42)34(35,36)33(45)37-23-24(3)5-2/h4,7,10-11,15-16,24-25,27-30,40,42H,1,5-6,8-9,12-14,17-23H2,2-3H3,(H,37,45)(H,38,44)(H,39,43)/t24-,27-,28-,29-,30+/m0/s1
InChIKey
SXQPECMJHHMDFO-DUGYJJFCSA-N
Smiles
CC[C@@H](CNC(=O)C([C@@H]([C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)Cc1ccccc1)CC=C)CC1CCCCC1)O)(F)F)C
Isomeric SMILES
CC[C@H](C)CNC(=O)C([C@@H]([C@H](CC1CCCCC1)NC(=O)[C@H](CC=C)NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)N3CCOCC3)O)(F)F
PubChem CID
15126552
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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