Basic information
- Standard SMILES
CCCO[C@@H]1C[C@H]([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(OC(C)C)cc(N3CCCC3=O)c2)N(C(=O)OC(C)(C)C)C1- InChIKey
HOKOJMRCUHBCEX-WNFBGFHMSA-N- Molecular formula
- C41H61F2N3O7Si
- Average molar mass
- 774 g/mol
Names & identifiers
- Preferred name
- (2R,4R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-isopropoxy-5-(2-oxopyrrolidin-1-yl)benzamido) propyl)-4-propoxypyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2R,4R)-2-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-difluorophenyl)-2-[[3-(2-oxopyrrolidin-1-yl)-5-propan-2-yloxybenzoyl]amino]propyl]-4-propoxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2204097HOKOJMRCUHBCEX-WNFBGFHMSA-N(2R,4R)-tert-butyl 2-((1S,2S)-1-(tert-butyldimethylsilyloxy)-3-(3,5-difluorophenyl)-2-(3-isopropoxy-5-(2-oxopyrrolidin-1-yl)benzamido) propyl)-4-propoxypyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 67315974
Properties
Computed structural properties
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 17
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,250
Related reactions
2 records
Compound notes
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