Basic information
- Standard SMILES
O=C(OCc1ccccc1)c1cccc(NC(=O)C(CS)Cc2ccccc2)c1- InChIKey
JCUWVZYUGUVDEQ-UHFFFAOYSA-N- Molecular formula
- C24H23NO3S
- Average molar mass
- 405.5 g/mol
Names & identifiers
- Preferred name
- Benzyl 3-[(2-mercaptomethyl-3-phenylpropionyl)amino]benzoate
- IUPAC
- benzyl 3-[(2-benzyl-3-sulfanylpropanoyl)amino]benzoate
Names & synonyms
SCHEMBL7434975JCUWVZYUGUVDEQ-UHFFFAOYSA-Nbenzyl 3-[(2-mercaptomethyl-3phenylpropionyl)amino]benzoatebenzyl 3-[(2-mercaptomethyl-3-phenylpropionyl)amino]benzoate
Database identifiers
- PubChem CID
- 15670210
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 514
Related reactions
3 records
Compound notes
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