Basic information
- Standard SMILES
O=C(N[C@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C[C@@H](O)C(=O)O)c1cc(-c2ccccc2F)no1- InChIKey
SNHCAFLFEWRQHX-HYBUGGRVSA-N- Molecular formula
- C27H22ClFN2O5
- Average molar mass
- 508.9 g/mol
Names & identifiers
- Preferred name
- (2R,4R)-5-(3'-Chlorobiphenyl-4-yl)-4-{[3-(2-fluorophenyl)isoxazole-5-carbonyl]amino}-2-hydroxypentanoic Acid
- IUPAC
- (2R,4R)-5-[4-(3-chlorophenyl)phenyl]-4-[[3-(2-fluorophenyl)-1,2-oxazole-5-carbonyl]amino]-2-hydroxypentanoic acid
Names & synonyms
CHEMBL6061212SCHEMBL17011193SNHCAFLFEWRQHX-HYBUGGRVSA-NBDBM471714US10829438, Example 6A(2R,4R)-5-(3'-Chlorobiphenyl-4-yl)-4-{[3-(2-fluorophenyl)isoxazole-5-carbonyl]amino}-2-hydroxypentanoic Acid
Database identifiers
- PubChem CID
- 86705154
- ChEMBL
CHEMBL6061212
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 737
Related reactions
1 records
Compound notes
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