Basic information
- CAS
40279-94-5- Standard SMILES
O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1- InChIKey
PICQEJDBZKDWOD-CQSZACIVSA-N- Molecular formula
- C15H15NO4S
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.07217896
Names & identifiers
- Preferred name
- N-(Phenylsulfonyl)-D-phenylalanine
- IUPAC
- (2R)-2-(benzenesulfonamido)-3-phenylpropanoic acid
Names & synonyms
N-(Phenylsulfonyl)-D-phenylalanine40279-94-5RefChem:362854SCHEMBL4188026DTXSID001298246N-(Benzenesulfonyl)-D-phenylalanineEiM07-30012
Database identifiers
- CAS
40279-94-5- PubChem CID
- 744896
- DTXSID
DTXSID001298246- Nikkaji
- J55.154F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…