Basic information
- CAS
68739-16-2- Standard SMILES
C[C@H](NC(=O)C(F)(F)F)C(=O)NC(=O)[C@H](C)Nc1ccc([N+](=O)[O-])cc1- InChIKey
JGIBDPDQDQAOMR-YUMQZZPRSA-N- Molecular formula
- C14H15F3N4O5
- Average molar mass
- 376.29 g/mol
- Monoisotopic mass
- 376.09945424
Overview
potent inhibitor of pancreatic elastase & moderate inhibitor of leukocyte elastase
Names & identifiers
- Preferred name
- Trifluoroacetyl-dialanine-4-nitroanilide
- IUPAC
- (2S)-2-(4-nitroanilino)-N-[(2S)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]propanamide
- English name
- trifluoroacetyl-dialanine-4-nitroanilide
- Molecular formula
- C14H15F3N4O5
- Molecular weight
- 376.29
Names & synonyms
TfadanaTrifluoroacetyl-dialanine-4-nitroanilide68739-16-2Trifluoroacetyl-dialanine-p-nitroanilideDTXSID80218863L-Alaninamide, N-(trifluoroacetyl)-L-alanyl-N-(4-nitrophenyl)-RefChem:191581DTXCID30141354(2S)-2-(4-Nitroanilino)-N-[(2S)-2-(2,2,2-trifluoroacetamido)propanoyl]propanamideL-Alaninamide, N-(trifluoroacetyl)-L-alanyl-N-(4-nitrophenyl)- (9CI)
Database identifiers
- CAS
68739-16-2- PubChem CID
- 196458
- DTXSID
DTXSID80218863
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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