Basic information
- Standard SMILES
COc1c(Cl)cc(Br)c(OC)c1C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O- InChIKey
SYRXTDDIYNAJNB-IBGZPJMESA-N- Molecular formula
- C24H21BrClNO5
- Average molar mass
- 518.8 g/mol
Names & identifiers
- Preferred name
- 3-Biphenyl-4-yl-2-(S)-(3-bromo-5-chloro-2,6-dimethoxy-benzoylamino)-propionic acid
- IUPAC
- (2S)-2-[(3-bromo-5-chloro-2,6-dimethoxybenzoyl)amino]-3-(4-phenylphenyl)propanoic acid
Names & synonyms
SCHEMBL4827812SYRXTDDIYNAJNB-IBGZPJMESA-N3-Biphenyl-4-yl-2-(S)-(3-bromo-5-chloro-2,6-dimethoxy-benzoylamino)-propionic acid
Database identifiers
- PubChem CID
- 11214537
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 624
Related reactions
1 records
Compound notes
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