Basic information
- Standard SMILES
C=CCOC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1CCn1ccnc1C(N)=O- InChIKey
YRUTULPXRQPPBF-VXGBXAGGSA-N- Molecular formula
- C15H22N4O6S
- Average molar mass
- 386.4 g/mol
Names & identifiers
- Preferred name
- (2R,4R)-1-allyloxycarbonyl-2-{2-(2-carbamoylimidazol-1-yl) ethyl}-4-methylsulfonyloxypyrrolidine
- IUPAC
- prop-2-enyl (2R,4R)-2-[2-(2-carbamoylimidazol-1-yl)ethyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL8833308YRUTULPXRQPPBF-VXGBXAGGSA-N(2R,4R)-1-allyloxycarbonyl-2-[2-(2-carbamoylimidazol-1-yl)ethyl]-4-methylsulfonyloxypyrrolidine(2R,4R)-1-allyloxycarbonyl-2-{2-(2-carbamoylimidazol-1-yl) ethyl}-4-methylsulfonyloxypyrrolidine
Database identifiers
- PubChem CID
- 54523979
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 635
Related reactions
2 records
Compound notes
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