Basic information
- Standard SMILES
COc1ccccc1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(=O)O)cc1- InChIKey
BZHLHAGOYQYCIQ-IBGZPJMESA-N- Molecular formula
- C23H19Cl2NO4
- Average molar mass
- 444.3 g/mol
Names & identifiers
- Preferred name
- N-(2,6-dichlorobenzoyl)-4-(2-methoxyphenyl)-L-phenylalanine
- IUPAC
- (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(2-methoxyphenyl)phenyl]propanoic acid
Names & synonyms
SCHEMBL5783011BZHLHAGOYQYCIQ-IBGZPJMESA-NN-(2,6-dichlorobenzoyl)-4-(2-methoxyphenyl)-L-phenylalanine
Database identifiers
- PubChem CID
- 53709169
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 572
Related reactions
2 records
Compound notes
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