Basic information
- CAS
81134-56-7- Standard SMILES
CCCC[C@H](NC=O)C(=O)NC(=O)[C@H](CC(C)C)N[C@@H](Cc1ccccc1)C(=O)CCl- InChIKey
IINOPBHPZIBEFW-UFYCRDLUSA-N- Molecular formula
- C23H34ClN3O4
- Average molar mass
- 452 g/mol
- Monoisotopic mass
- 451.2237843
Overview
chemotactic for & induces lysosomal enzyme release from rabbit peritoneal neutrophils
Names & identifiers
- Preferred name
- N-formylnorleucyl-leucyl-phenylalanine chloromethyl ketone
- IUPAC
- (2S)-N-[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-4-methylpentanoyl]-2-formamidohexanamide
- English name
- N-formylnorleucyl-leucyl-phenylalanine chloromethyl ketone
- Molecular formula
- C23H34ClN3O4
- Molecular weight
- 451.99
Names & synonyms
Fnlpck81134-56-7L-Leucinamide, N-formyl-L-norleucyl-N-(3-chloro-2-oxo-1-(phenylmethyl)propyl)-, (S)-N-Formylnorleucyl-leucyl-phenylalanine chloromethyl ketoneN-Formyl-nle-leu-phe-chloromethyl ketoneRefChem:163430(2S)-N-[(2S)-2-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-4-methylpentanoyl]-2-formamidohexanamideDTXSID001001805(2S)-N-{N-[(2S)-4-Chloro-3-oxo-1-phenylbutan-2-yl]-L-leucyl}-2-[(hydroxymethylidene)amino]hexanimidic acidN-[N-(4-Chloro-3-oxo-1-phenylbutan-2-yl)leucyl]-2-[(hydroxymethylidene)amino]hexanimidic acidL-Leucinamide, N-formyl-L-norleucyl-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-, (S)- (9CI)
Database identifiers
- CAS
81134-56-7- PubChem CID
- 5487585
- DTXSID
DTXSID001001805
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 14
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- Boiling point
- 722.5 · 722.5±60.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- pka
- 13.06 · 13.06±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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