Molecular Identity
Aloxistatin
ethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
PubChem CID: 65663
Aloxistatin is 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. It has a role as an anticoronaviral agent and a cathepsin B inhibitor. It is an ethyl ester, a L-leucine derivative, a monocarboxylic acid amide and an epoxide.
2D Structure
Properties
C17H30N2O5
Molecular Formula
342.40
Molecular Weight
g/mol
342.2155
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
97
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
450
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Aloxistatin88321-09-9E-64DLoxistatinE 64dAloxistatinaAloxistatineAloxistatinumE 64c ethyl esterE64dL5W337AOURNSC-694281Ethyl (+)-(2S,3S)-2,3-epoxy-N-((S)-1-(isopentylcarbamoyl)-3-methylbutyl)succinamateethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylateCHEBI:101381
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Aloxistatin
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