Basic information
- CAS
95602-96-3- Standard SMILES
CCC(C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(N)=O)N(O)C(=O)CCl- InChIKey
VQBDWASJNDNQGF-ZEMFGHSESA-N- Molecular formula
- C13H23ClN4O5
- Average molar mass
- 350.8 g/mol
- Monoisotopic mass
- 350.1356975
Overview
active-site directed elastase inhibitor
Names & identifiers
- Preferred name
- chloroacetyl-N-hydroxyleucyl-alanyl-glycinamide
- IUPAC
- (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-2-[(2-chloroacetyl)-hydroxyamino]-3-methylpentanamide
- English name
- chloroacetyl-N-hydroxyleucyl-alanyl-glycinamide
- Molecular formula
- C13H23ClN4O5
- Molecular weight
- 350.8
Names & synonyms
Cahlag95602-96-3ClCH2CO-holeu-ala-gly-NH2ClCH2CO-DL-(N-OH)leu-ala-gly-NH2RefChem:125363chloroacetyl-N-hydroxyleucyl-alanyl-glycinamide(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]-2-[(2-chloroacetyl)-hydroxyamino]-3-methylpentanamideDTXSID80914914Glycinamide, N-(chloroacetyl)-N-hydroxy-L-leucyl-L-alanyl-(S)-N-((S)-1-((2-Amino-2-oxoethyl)amino)-1-oxopropan-2-yl)-2-(2-chloro-N-hydroxyacetamido)-4-methylpentanamideN-(Chloroacetyl)-N-hydroxy-L-leucyl-L-alanylglycinamide(2S)-2-(2-Chloro-N-hydroxyacetamido)-N-{(2S)-1-hydroxy-1-[(2-hydroxy-2-iminoethyl)imino]propan-2-yl}-3-methylpentanimidic acid
Show more names
Cl-Ac-(OH)Leu-Ala-Gly-NH2 (0.5 mg vial)
2-[(Chloroacetyl)(hydroxy)amino]-N-{1-hydroxy-1-[(2-hydroxy-2-iminoethyl)imino]propan-2-yl}-3-methylpentanimidic acid
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 460
Physicochemical properties
- Density
- 1.298 · 1.298±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 7.476 · 7.476±0.50(predicted)
Chemistry & industry
Suppliers1 total
DONBOO AMINO ACID COMPANY13063595538 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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