Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(Br)cn1- InChIKey
MMWOPWNNYLXAFS-FQEVSTJZSA-N- Molecular formula
- C22H19BrN2O3
- Average molar mass
- 439.3 g/mol
Names & identifiers
- Preferred name
- 3-Biphenyl-4-yl-(2S)-[(5-bromo-pyridine-2-carbonyl)-amino]-propionic acid methyl ester
- IUPAC
- methyl (2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-(4-phenylphenyl)propanoate
Names & synonyms
SCHEMBL5927026MMWOPWNNYLXAFS-FQEVSTJZSA-N3-Biphenyl-4-yl-(2S)-[(5-bromo-pyridine-2-carbonyl)-amino]-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69610056
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Related reactions
1 records
Compound notes
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