Basic information
- Standard SMILES
COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(SC)cc1OC- InChIKey
RWZLJFSDXAIIRX-CYBMUJFWSA-N- Molecular formula
- C16H23NO4S
- Average molar mass
- 325.4 g/mol
Names & identifiers
- Preferred name
- (R)-methyl 2-(2-methoxy-4-(methylthio)benzamido)-4-methylpentanoate
- IUPAC
- methyl (2R)-2-[(2-methoxy-4-methylsulfanylbenzoyl)amino]-4-methylpentanoate
Names & synonyms
SCHEMBL702231RWZLJFSDXAIIRX-CYBMUJFWSA-N(R)-methyl 2-(2-methoxy-4-(methylthio)benzamido)-4-methylpentanoate
Database identifiers
- PubChem CID
- 40433016
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 375
Related reactions
3 records
Compound notes
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