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CHEBI:2423 - acetylleucyl-leucyl-norleucinal

ChEBI IDCHEBI:2423
ChEBI Nameacetylleucyl-leucyl-norleucinal
Stars
DefinitionA tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence.
Last Modified26 February 2016
DownloadsMolfile
FormulaC20H37N3O4
Net Charge0
Average Mass383.533
Monoisotopic Mass383.27841
SMILES[H]C(=O)[C@H](CCCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/C20H37N3O4/c1-7-8-9-16(12-24)22-19(26)18(11-14(4)5)23-20(27)17(10-13(2)3)21-15(6)25/h12-14,16-18H,7-11H2,1-6H3,(H,21,25)(H,22,26)(H,23,27)/t16-,17-,18-/m0/s1
InChIKeyFMYKJLXRRQTBOR-BZSNNMDCSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
cysteine protease inhibitor  Any protease inhibitor that restricts the action of a cysteine protease.
ChEBI Ontology
Outgoing Relation(s)
acetylleucyl-leucyl-norleucinal (CHEBI:2423) has role cysteine protease inhibitor (CHEBI:64152)
acetylleucyl-leucyl-norleucinal (CHEBI:2423) is a aldehyde (CHEBI:17478)
acetylleucyl-leucyl-norleucinal (CHEBI:2423) is a tripeptide (CHEBI:47923)
IUPAC Names 
(2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(1S)-1-formylpentyl]-4-methylpentanamide
N-acetyl-L-leucyl-N-[(2S)-1-oxohexan-2-yl]-L-leucinamide
Synonyms  Source
Acetylleucyl-leucyl-norleucinalKEGG COMPOUND
N-acetylleucylleucylnorleucinalJCBN
Ac-Leu-leu-nle-alChemIDplus
Acetyl-leucyl-leucyl-norleucine-aldehydeChemIDplus
N-Ac-Leu-leu-norleucinalChemIDplus
Manual XrefsDatabases
C11306KEGG COMPOUND
CIBPDBeChem
LSM-37060LINCS
Registry NumbersSources
Reaxys:7656053Reaxys
Reaxys:24182910Reaxys
CAS:110044-82-1KEGG COMPOUND
CAS:110044-82-1ChemIDplus
Citations