Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(-c2c(C)ccn(C)c2=O)cc1)NC(=O)c1c(C)cccc1Cl- InChIKey
XPTVTZCFESJBSV-FQEVSTJZSA-N- Molecular formula
- C25H25ClN2O4
- Average molar mass
- 452.9 g/mol
Names & identifiers
- Preferred name
- N-[(2-chloro-6-methylphenyl)carbonyl]-4-(1,4-dimethyl-2-oxo-3-pyridinyl)-L-phenylalanine methyl ester
- IUPAC
- methyl (2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-(1,4-dimethyl-2-oxo-3-pyridinyl)phenyl]propanoate
Names & synonyms
SCHEMBL6238999XPTVTZCFESJBSV-FQEVSTJZSA-NN-[(2-chloro-6-methylphenyl)carbonyl]-4-(1,4-dimethyl-2-oxo-3-pyridinyl)-L-phenylalanine methyl ester
Database identifiers
- PubChem CID
- 69716482
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 785
Related reactions
4 records
Compound notes
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