Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cn1- InChIKey
PGCHIYFRNQWREH-QFIPXVFZSA-N- Molecular formula
- C26H23N3O5
- Average molar mass
- 457.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-3-phenyl-propionic acid
- IUPAC
- (2S)-2-[[6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carbonyl]amino]-3-phenylpropanoic acid
Names & synonyms
SCHEMBL2929039CHEMBL3681528PGCHIYFRNQWREH-QFIPXVFZSA-NBDBM133539US8846719, 231(S)-2-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-3-phenyl-propionic acid
Database identifiers
- PubChem CID
- 68444584
- ChEMBL
CHEMBL3681528
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 665
Related reactions
5 records
Compound notes
Loading…