Basic information
- Standard SMILES
CCCC(=O)OCOC(=O)[C@H](O)C[C@H](N)Cc1ccc(-c2cccc(Cl)c2)cc1- InChIKey
GNUNZYWQHICRLQ-WOJBJXKFSA-N- Molecular formula
- C22H26ClNO5
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1499506
Names & identifiers
- Preferred name
- (2R,4R)-4-Amino-5-(3'-chlorobiphenyl-4-yl)-2-hydroxypentanoic acid butyryloxymethyl ester
- IUPAC
- butanoyloxymethyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate
Names & synonyms
SCHEMBL14890860GNUNZYWQHICRLQ-WOJBJXKFSA-N(2R,4R)-4-Amino-5-(3'-chlorobiphenyl-4-yl)-2-hydroxypentanoic acid butyryloxymethyl ester
Database identifiers
- PubChem CID
- 86705144
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 509
Related reactions
1 records
Compound notes
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