Basic information
- Standard SMILES
CC(C)(C)CC1NC(C(=O)NCC[C@@H](O)CO)C(c2cccc(Cl)c2)C1(C#N)c1ccc(Cl)cc1- InChIKey
ZSZGGSIFAMXPIG-IMDGPYFBSA-N- Molecular formula
- C27H33Cl2N3O3
- Average molar mass
- 518.5 g/mol
Names & identifiers
- Preferred name
- rac-(2R,3R,4R,5S)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid ((R)-3,4-dihydroxy-butyl)-amide
- IUPAC
- 3-(3-chlorophenyl)-4-(4-chlorophenyl)-4-cyano-N-[(3R)-3,4-dihydroxybutyl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide
Names & synonyms
ZSZGGSIFAMXPIG-IMDGPYFBSA-Nrac-(2R,3R,4R,5S)-3-(3-chloro-phenyl)-4-(4-chloro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid ((R)-3,4-dihydroxy-butyl)-amide
Database identifiers
- PubChem CID
- 86640352
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 759
Related reactions
1 records
Compound notes
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