Basic information
- Standard SMILES
COc1cc(C(=O)N[C@H](Cc2ccc(-c3cccc(Cl)c3)cc2)C[C@@H](O)C(=O)O)on1- InChIKey
LWJVOGQURBNBBN-QZTJIDSGSA-N- Molecular formula
- C22H21ClN2O6
- Average molar mass
- 444.9 g/mol
Names & identifiers
- Preferred name
- (2R,4R)-5-(3'-Chlorobiphenyl-4-yl)-2-hydroxy-4-[(3-methoxyisoxazole-5-carbonyl)amino]pentanoic Acid
- IUPAC
- (2R,4R)-5-[4-(3-chlorophenyl)phenyl]-2-hydroxy-4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]pentanoic acid
Names & synonyms
SCHEMBL9930172CHEMBL5915333LWJVOGQURBNBBN-QZTJIDSGSA-NBDBM459378US10759813, Example 18-8(2R,4R)-5-(3'-Chlorobiphenyl-4-yl)-2-hydroxy-4-[(3-methoxyisoxazole-5-carbonyl)amino]pentanoic Acid
Database identifiers
- PubChem CID
- 67969790
- ChEMBL
CHEMBL5915333
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 601
Related reactions
1 records
Compound notes
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