Basic information
- Standard SMILES
O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O)c1c(Cl)cccc1Cl- InChIKey
PPPNTBPVQUEWKE-ZDUSSCGKSA-N- Molecular formula
- C16H12Cl2N2O5
- Average molar mass
- 383.2 g/mol
- Monoisotopic mass
- 382.0123269
Names & identifiers
- Preferred name
- N-(2,6-Dichlorobenzoyl)-4-nitro-L-phenylalanine
- IUPAC
- (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-nitrophenyl)propanoic acid
Names & synonyms
N-(2,6-Dichlorobenzoyl)-4-nitro-L-phenylalanineSCHEMBL181399PPPNTBPVQUEWKE-ZDUSSCGKSA-NDB-3870944-nitro-N-(2,6-dichlorobenzoyl)-L-phenylalanineNalpha-(2,6-dichlorobenzoyl)-4-nitro-L-phenylalanine401906-14-7
Database identifiers
- PubChem CID
- 58018322
- Nikkaji
- J2.327.268G
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 495
Related reactions
7 records
Compound notes
Loading…