Basic information
- Standard SMILES
CNC(=S)Nc1ccc(C(=O)N[C@@H](Cc2ccc(-c3ccccc3OC)cc2)C(=O)OC)c(Cl)c1- InChIKey
VQJVWKHSLJYMHB-QFIPXVFZSA-N- Molecular formula
- C26H26ClN3O4S
- Average molar mass
- 512 g/mol
Names & identifiers
- Preferred name
- N-[2-chloro-4-(3-methylthioureido)benzoyl]-4-(2-methoxyphenyl)-L-phenylalanine methyl ester
- IUPAC
- methyl (2S)-2-[[2-chloro-4-(methylcarbamothioylamino)benzoyl]amino]-3-[4-(2-methoxyphenyl)phenyl]propanoate
Names & synonyms
SCHEMBL5784302VQJVWKHSLJYMHB-QFIPXVFZSA-NN-[2-chloro-4-(3-methylthioureido)benzoyl]-4-(2-methoxyphenyl)-L-phenylalanine methyl ester
Database identifiers
- PubChem CID
- 54405488
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 719
Related reactions
2 records
Compound notes
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