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CHEBI:101381 - aloxistatin

ChEBI IDCHEBI:101381
ChEBI Namealoxistatin
Stars
DefinitionAn L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide.
Last Modified23 April 2020
DownloadsMolfile
FormulaC17H30N2O5
Net Charge0
Average Mass342.436
Monoisotopic Mass342.21547
SMILESCCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
InChIInChI=1S/C17H30N2O5/c1-6-23-17(22)14-13(24-14)16(21)19-12(9-11(4)5)15(20)18-8-7-10(2)3/h10-14H,6-9H2,1-5H3,(H,18,20)(H,19,21)/t12-,13-,14-/m0/s1
InChIKeySRVFFFJZQVENJC-IHRRRGAJSA-N
Roles Classification
Biological Roles:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
cathepsin B inhibitor  A cysteine protease inhibitor which inhibits cathepsin B (EC 3.4.22.1).
ChEBI Ontology
Outgoing Relation(s)
aloxistatin (CHEBI:101381) has role anticoronaviral agent (CHEBI:149553)
aloxistatin (CHEBI:101381) has role cathepsin B inhibitor (CHEBI:64932)
aloxistatin (CHEBI:101381) is a L-leucine derivative (CHEBI:25018)
aloxistatin (CHEBI:101381) is a epoxide (CHEBI:32955)
aloxistatin (CHEBI:101381) is a ethyl ester (CHEBI:23990)
aloxistatin (CHEBI:101381) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
ethyl (2S,3S)-3-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}carbamoyl)oxirane-2-carboxylate
INNs  Source
aloxistatinaChemIDplus
aloxistatinChemIDplus
aloxistatineChemIDplus
aloxistatinumChemIDplus
Synonyms  Source
E64dChEBI
E 64dChEBI
Ethyl (+)-(2S,3S)-2,3-epoxy-N-((S)-1-(isopentylcarbamoyl)-3-methylbutyl)succinamateChemIDplus
E-64dChEBI
LoxistatinChemIDplus
Registry NumbersSources
Reaxys:5354546Reaxys
CAS:88321-09-9ChemIDplus
Citations