Basic information
- CAS
96244-68-7- Standard SMILES
CCOC(=O)C1OC1C(=O)NC(CC(C)C)C(=O)NCCC(C)C- InChIKey
SRVFFFJZQVENJC-UHFFFAOYSA-N- Molecular formula
- C17H30N2O5
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.21547206
Overview
See also: Aloxistatin (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl epoxysuccinyl-leucylamido-3-methylbutane
- IUPAC
- ethyl 3-[[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
- English name
- loxistatin
- Molecular formula
- C17H30N2O5
- Molecular weight
- 342.43
Names & synonyms
96244-68-7Ethyl epoxysuccinyl-leucylamido-3-methylbutaneRefChem:1085039ethyl 3-[[4-methyl-1-(3-methylbutylamino)-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylateE-64-dL-trans-Epoxysuccinyl-Leu-3-methylbutylamide-ethyl esterAloxistatin (E-64d)L-ESTmed.21724, Compound 27(2S,3S)-trans-Epoxysuccinyl-L-leucylamido-3-methylbutane ethyl esterCHEMBL2355020SCHEMBL18498407
Show more names
Reaxys ID: 257591922-Oxiranecarboxylic acid, 3-[[[3-methyl-1-[[(3-methylbutyl)amino]carbonyl]butyl]amino]carbonyl]-, ethyl ester
BDBM429291HMS3370L19HMS3653O20IED-4321-Vs7393ethyl 3-[[1-(isopentylcarbamoyl)-3-methyl-butyl]carbamoyl]oxirane-2-carboxylateNCGC00163691-01LS-14611
Database identifiers
- CAS
96244-68-7- PubChem CID
- 3189
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 450
Physicochemical properties
- Boiling point
- 538 · 538.0±50.0 °C(Predicted)
- Density
- 1.102 · 1.102±0.06 g/cm3(Predicted)
- pka
- 13.32 · 13.32±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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