Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)C1CN(c2ccc(C(N)=S)cc2)C(=O)O1- InChIKey
PUYKSEUKNGMADE-MRTLOADZSA-N- Molecular formula
- C24H27N3O5S
- Average molar mass
- 469.6 g/mol
- Monoisotopic mass
- 469.16714214
Names & identifiers
- Preferred name
- tert-butyl (2R)-2-[3-(4-thiocarbamoylphenyl)-2-oxo-5-oxazolidinylcarbonylamino]-3-phenylpropionate
- IUPAC
- tert-butyl (2R)-2-[[3-(4-carbamothioylphenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]amino]-3-phenylpropanoate
Names & synonyms
SCHEMBL7457387PUYKSEUKNGMADE-MRTLOADZSA-Ntert-butyl (2R)-2-[3-(4-thiocarbamoylphenyl)-2-oxo-5-oxazolidinylcarbonylamino]-3-phenylpropionate
Database identifiers
- PubChem CID
- 54209529
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 739
Related reactions
1 records
Compound notes
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