Basic information
- Standard SMILES
CCOC(=O)[C@H](Cc1ccc(-c2c(OC)cc(CCO)cc2OC)cc1)NC(=O)c1c(Cl)cccc1Cl- InChIKey
MJFNZNHQNXPYCS-QFIPXVFZSA-N- Molecular formula
- C28H29Cl2NO6
- Average molar mass
- 546.4 g/mol
Names & identifiers
- Preferred name
- N-(2,6-dichlorobenzoyl)-4-[2,6-dimethoxy-4-(2-hydroxyethyl)phenyl]-L-phenylalanine ethyl ester
- IUPAC
- ethyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[4-(2-hydroxyethyl)-2,6-dimethoxyphenyl]phenyl]propanoate
Names & synonyms
SCHEMBL6504143MJFNZNHQNXPYCS-QFIPXVFZSA-NN-(2,6-dichlorobenzoyl)-4-[2,6-dimethoxy-4-(2-hydroxyethyl)phenyl]-L-phenylalanine ethyl ester
Database identifiers
- PubChem CID
- 54075239
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 94.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 695
Related reactions
2 records
Compound notes
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