Basic information
- Standard SMILES
CC(C)[C@@H](OCCOc1ccccc1)C(=O)N[C@@H](C)c1ccc(C(=O)O)cc1- InChIKey
PTEYRFYBLQUWJP-OXJNMPFZSA-N- Molecular formula
- C22H27NO5
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.18892296
Names & identifiers
- Preferred name
- 4-[(1S)-1-[[(2R)-3-methyl-2-(2-phenoxyethoxy)butanoyl]amino]ethyl]benzoic acid
- IUPAC
- 4-[(1S)-1-[[(2R)-3-methyl-2-(2-phenoxyethoxy)butanoyl]amino]ethyl]benzoic acid
Names & synonyms
CHEMBL3667607SCHEMBL15954316PTEYRFYBLQUWJP-OXJNMPFZSA-NBDBM154981US9000043, 14-[(1S)-1-[[(2R)-3-methyl-2-(2-phenoxyethoxy)butanoyl]amino]ethyl]benzoic acid
Database identifiers
- PubChem CID
- 77050677
- ChEMBL
CHEMBL3667607
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 481
Related reactions
2 records
Compound notes
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