Basic information
- Standard SMILES
CC(=O)S[C@H]1C[C@@H](C=O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1- InChIKey
AXARQGIFBJGXJA-KBPBESRZSA-N- Molecular formula
- C15H16N2O6S
- Average molar mass
- 352.4 g/mol
Names & identifiers
- Preferred name
- (2S,4S)-4-acetylthio-2-formyl-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
- IUPAC
- (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-formylpyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL9261506AXARQGIFBJGXJA-KBPBESRZSA-N(2S,4S)-4-acetylthio-2-formyl-1-(4-nitrobenzyloxycarbonyl) pyrrolidine(2S,4S)-4-acetylthio-2-formyl-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
Database identifiers
- PubChem CID
- 18638815
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 501
Related reactions
6 records
Linked notes
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