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CHEBI:90629 - leupeptin hemisulfate

Default Structure
ChEBI IDCHEBI:90629
ChEBI Nameleupeptin hemisulfate
Stars
DefinitionA peptide sulfate salt obtained by combining leupeptin with 0.5 molar equivalents of sulfuric acid.
Last Modified3 December 2015
SubmitterSteve
DownloadsMolfile
Formula2C20H38N6O4.H2O4S
Net Charge0
Average Mass951.203
Monoisotopic Mass950.55829
SMILESO=S(=O)(O)O.[H]C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O.[H]C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O
InChIInChI=1S/2C20H38N6O4.H2O4S/c2*1-12(2)9-16(24-14(5)28)19(30)26-17(10-13(3)4)18(29)25-15(11-27)7-6-8-23-20(21)22;1-5(2,3)4/h2*11-13,15-17H,6-10H2,1-5H3,(H,24,28)(H,25,29)(H,26,30)(H4,21,22,23);(H2,1,2,3,4)/t2*15-,16-,17-;/m00./s1
InChIKeyCIPMKIHUGVGQTG-VFFZMTJFSA-N
Roles Classification
Biological Roles:
cathepsin B inhibitor  A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1).
calpain inhibitor  An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of any calpain.
serine protease inhibitor  Any protease inhibitor that restricts the action of a serine protease.
EC 3.4.21.4 (trypsin) inhibitor  An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of trypsin (EC 3.4.21.4).
ChEBI Ontology
Outgoing Relation(s)
leupeptin hemisulfate (CHEBI:90629) has role calpain inhibitor (CHEBI:82824)
leupeptin hemisulfate (CHEBI:90629) has role cathepsin B inhibitor (CHEBI:64932)
leupeptin hemisulfate (CHEBI:90629) has role EC 3.4.21.4 (trypsin) inhibitor (CHEBI:76940)
leupeptin hemisulfate (CHEBI:90629) has role serine protease inhibitor (CHEBI:64926)
leupeptin hemisulfate (CHEBI:90629) is a peptide sulfate salt (CHEBI:38019)
IUPAC Names 
bis{N-acetyl-L-leucyl-N-[(2S)-5-{[azaniumyl(imino)methyl]amino}-1-oxopentan-2-yl]-L-leucinamide} sulfate
N-acetyl-L-leucyl-N-[(2S)-5-carbamimidamido-1-oxopentan-2-yl]-L-leucinamide sulfate (2:1)
Synonyms  Source
Leupeptin hemisulfate anhydrousChemIDplus
leupeptin sulfateChEBI
Registry NumbersSources
CAS:103476-89-7ChemIDplus