Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccccc1S(=O)(=O)c1ccccc1- InChIKey
HRAUITQBHINMEP-FQEVSTJZSA-N- Molecular formula
- C23H22N2O6S
- Average molar mass
- 454.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-[3-(2-Benzenesulfonylphenyl)ureido]-3-(4-hydroxyphenyl) propionic acid methyl ester
- IUPAC
- methyl (2S)-2-[[2-(benzenesulfonyl)phenyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoate
Names & synonyms
SCHEMBL5258179HRAUITQBHINMEP-FQEVSTJZSA-N(S)-2-[3-(2-Benzenesulfonylphenyl)ureido]-3-(4-hydroxyphenyl) propionic acid methyl ester
Database identifiers
- PubChem CID
- 69374690
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 723
Related reactions
1 records
Compound notes
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