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Basic information
- Standard SMILES
CCN(CC)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1- InChIKey
SHCIURDKJFXRRB-BJKOFHAPSA-N- Molecular formula
- C26H39N3O3
- Average molar mass
- 441.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl (2S,3R)-4-(3-(diethylamino)benzylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamate
- IUPAC
- tert-butyl N-[(2S,3R)-4-[[3-(diethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Names & synonyms
SCHEMBL13033128SHCIURDKJFXRRB-BJKOFHAPSA-Ntert-butyl (2S,3R)-4-(3-(diethylamino)benzylamino)-3-hydroxy-1-phenylbutan-2-ylcarbamate
Database identifiers
- PubChem CID
- 59569656
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 527
Related reactions
1 records
Compound notes
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