3-[2-(3-Acetamido-2-oxo-1-pyridinyl)butanoylamino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
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Basic information
- Standard SMILES
CCC(C(=O)NC(CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F)n1cccc(NC(C)=O)c1=O- InChIKey
NFDZDBDMIZFDES-UHFFFAOYSA-N- Molecular formula
- C22H21F4N3O7
- Average molar mass
- 515.4 g/mol
Names & identifiers
- Preferred name
- 3-[2-(3-Acetamido-2-oxo-1-pyridinyl)butanoylamino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
- IUPAC
- 3-[2-(3-acetamido-2-oxo-1-pyridinyl)butanoylamino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
Names & synonyms
SCHEMBL473190
Database identifiers
- PubChem CID
- 72963554
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 931
Related reactions
1 records
Compound notes
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