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E-64-d

CAT: 0926-IED-4321-VSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-IED-4321-VSize:5 mg
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CAS Number
88321-09-9
Smiles
CCOC (=O) C1C (O1) C (=O) NC (CC (C) C) C (=O) NCCC (C) C
Molecular Formula
C17H30N2O5
Molecular Weight
342.43 g/mol
Controlled
No

Chemical Information

Aloxistatin

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.

CAS Number88321-09-9
PubChem CID65663
IUPAC Nameethyl (2S,3S)-3-[[(2S)-4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
Molecular FormulaC17H30N2O5
Molecular Weight342.4
XLogP2.3
Topological Polar Surface Area97
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count24
Formal Charge0
Complexity450
SMILES
CCOC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C
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
Chemical Structure
2D Structure
2D structure of Aloxistatin
CAS: 88321-09-9
CID: 65663
Formula: C17H30N2O5
MW: 342.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass342.21547206
Monoisotopic Mass342.21547206
Topological Polar Surface Area97 Ų
Heavy Atom Count24
Formal Charge0
Complexity450
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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