Basic information
- Standard SMILES
Cc1c(N[C@H](C)[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCN2C(=O)OC(C)(C)C)ccc(C#N)c1Cl- InChIKey
WXWKENZCRBMSSJ-AGHHOFFYSA-N- Molecular formula
- C25H40ClN3O3Si
- Average molar mass
- 494.1 g/mol
- Monoisotopic mass
- 493.2527464
Names & identifiers
- Preferred name
- (2S,3S)-1-tert-Butyloxycarbonyl-3-(tert-butyldimethylsilanyloxy)-2-[(1R)-1-(3-chloro-4-cyano-2-methylphenylamino)ethyl]pyrrolidine
- IUPAC
- tert-butyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1R)-1-(3-chloro-4-cyano-2-methylanilino)ethyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2965153WXWKENZCRBMSSJ-AGHHOFFYSA-N(2S,3S)-1-tert-Butyloxycarbonyl-3-(tert-butyldimethylsilanyloxy)-2-[(1R)-1-(3-chloro-4-cyano-2-methylphenylamino)ethyl]pyrrolidine
Database identifiers
- PubChem CID
- 68459554
Properties
Computed structural properties
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 739
Related reactions
4 records
Compound notes
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