Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1- InChIKey
AXZZSWKWDQMEHZ-DYIKCSJPSA-N- Molecular formula
- C32H40N2O3
- Average molar mass
- 500.7 g/mol
- Monoisotopic mass
- 500.30389314
Names & identifiers
- Preferred name
- (R)-tert-butyl 2-((1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2R)-2-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL476042AXZZSWKWDQMEHZ-DYIKCSJPSA-N(R)-tert-butyl 2-((1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl)pyrrolidine-1-carboxy late(R)-tert-butyl 2-((1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl)pyrrolidine-1-carboxylate2-(R)-(2-(S)-Dibenzylamino-1-(S)-hydroxy-3-phenylpropyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 58699983
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 654
Related reactions
2 records
Compound notes
Loading…