Basic information
- Standard SMILES
Cc1oc(=O)oc1COn1cc(C(=O)N[C@H](Cc2ccc(-c3cc(Cl)ccc3F)cc2)C[C@@H](O)C(=O)O)nn1- InChIKey
DNNOITHEWMFTPI-DYESRHJHSA-N- Molecular formula
- C25H22ClFN4O8
- Average molar mass
- 560.9 g/mol
- Monoisotopic mass
- 560.1110195
Names & identifiers
- Preferred name
- (2R,4R)-5-(5'-Chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-{[1-(5-methyl-2-oxo-[1,3]dioxol-4-ylmethoxy)-1H-[1,2,3]triazole-4-carbonyl]amino}pentanoic Acid
- IUPAC
- (2R,4R)-5-[4-(5-chloro-2-fluorophenyl)phenyl]-2-hydroxy-4-[[1-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]triazole-4-carbonyl]amino]pentanoic acid
Names & synonyms
SCHEMBL17011209DNNOITHEWMFTPI-DYESRHJHSA-N(2R,4R)-5-(5'-Chloro-2'-fluorobiphenyl-4-yl)-2-hydroxy-4-{[1-(5-methyl-2-oxo-[1,3]dioxol-4-ylmethoxy)-1H-[1,2,3]triazole-4-carbonyl]amino}pentanoic Acid
Database identifiers
- PubChem CID
- 86705158
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 934
Related reactions
1 records
Compound notes
Loading…