Basic information
- Standard SMILES
CCCC(=O)OCOC(=O)[C@H](O)C[C@@H](Cc1ccc(-c2cc(Cl)ccc2F)cc1)NC(=O)c1cn(O)nn1- InChIKey
JRCPWHXWLUPQEZ-XMSQKQJNSA-N- Molecular formula
- C25H26ClFN4O7
- Average molar mass
- 548.9 g/mol
- Monoisotopic mass
- 548.147405
Names & identifiers
- Preferred name
- (2R,4R)-5-(5'-Chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-[(1-hydroxy-1H-[1,2,3]triazole-4-carbonyl)amino]pentanoic Acid Butyryloxymethyl Ester
- IUPAC
- butanoyloxymethyl (2R,4R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-hydroxy-4-[(1-hydroxytriazole-4-carbonyl)amino]pentanoate
Names & synonyms
SCHEMBL17011212JRCPWHXWLUPQEZ-XMSQKQJNSA-N(2R,4R)-5-(5'-Chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-[(1-hydroxy-1H-[1,2,3]triazole-4-carbonyl)amino]pentanoic Acid Butyryloxymethyl Ester
Database identifiers
- PubChem CID
- 86705162
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 14
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 789
Related reactions
1 records
Compound notes
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