Basic information
- Standard SMILES
COc1cc2c(cc1OC)N(C(=O)OCC(Cl)(Cl)Cl)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1CC(=O)CN1C2=O- InChIKey
VOAOPGKSXAAOEL-ZWKOTPCHSA-N- Molecular formula
- C24H33Cl3N2O7Si
- Average molar mass
- 596 g/mol
Names & identifiers
- Preferred name
- (11s,11As)-7,8-dimethoxy-2-oxo-11-(tert-butyldimethylsilyloxymethyl)-10-(2,2,2-trichloroethoxycarbonyl)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo [2,1-c][1,4]benzodiazepin-5-one
- IUPAC
- 2,2,2-trichloroethyl (6S,6aS)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethoxy-8,11-dioxo-6,6a,7,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
Names & synonyms
SCHEMBL375069VOAOPGKSXAAOEL-ZWKOTPCHSA-N(11s,11as)-7,8-dimethoxy-2-oxo-11-(tert-butyldimethylsilyloxymethyl)-10-(2,2,2-trichloroethoxycarbonyl)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo [2,1-c][1,4]benzodiazepin-5-one(11s,11as)-7,8-dimethoxy-2-oxo-11-(tert-butyldimethylsilyloxymethyl)-10-(2,2,2-trichloroethoxycarbonyl)-1,2,3,10,11,11a-hexahydro-5h-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
Database identifiers
- PubChem CID
- 66670095
Properties
Computed structural properties
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 879
Related reactions
1 records
Linked notes
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