CHEBI:101381 - aloxistatin

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ChEBI Name aloxistatin ChEBI ID CHEBI:101381 Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H30N2O5 Net Charge 0 Average Mass 342.431 Monoisotopic Mass 342.21547 InChI InChI=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 InChIKey SRVFFFJZQVENJC-IHRRRGAJSA-N SMILES O1[C@@H]([C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C)C(=O)OCC Roles Classification Biological Role(s): 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). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources aloxistatin ChemIDplus aloxistatina ChemIDplus aloxistatine ChemIDplus aloxistatinum ChemIDplus Synonyms Sources E 64d ChEBI E-64d ChEBI E64d ChEBI Ethyl (+)-(2S,3S)-2,3-epoxy-N-((S)-1-(isopentylcarbamoyl)-3-methylbutyl)succinamate ChemIDplus Loxistatin ChemIDplus Registry Numbers Types Sources 5354546 Reaxys Registry Number Reaxys 5354546 Beilstein Registry Number ChemIDplus 88321-09-9 CAS Registry Number ChemIDplus Citation Type Source 26388830 PubMed citation Europe PMC Last Modified 23 April 2020