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-RBDMOPTHSA-N- Molecular formula
- C25H40ClN3O3Si
- Average molar mass
- 494.1 g/mol
Names & identifiers
- Preferred name
- (2R,3S)-1-tert-Butyloxycarbonyl-3-(tert-butyldimethylsilanyloxy)-2-[(1S)-1-(3-chloro-4-cyano-2-methyl-phenylamino)ethyl]pyrrolidine
- IUPAC
- tert-butyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(1S)-1-(3-chloro-4-cyano-2-methylanilino)ethyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL1021298WXWKENZCRBMSSJ-RBDMOPTHSA-N(2R,3S)-1-tert-Butyloxycarbonyl-3-(tert-Butyldimethylsilanyloxy)-2-[(1S)-1-(3-chloro-4-cyano-2-methyl-phenylamino)-ethyl]pyrrolidine(2R,3S)-1-tert-Butyloxycarbonyl-3-(tert-butyldimethylsilanyloxy)-2-[(1S)-1-(3-chloro-4-cyano-2-methyl-phenylamino)ethyl]pyrrolidine
Database identifiers
- PubChem CID
- 16732285
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
7 records
Compound notes
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