Di-tert-butyl [{4-[({[(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl}amino)oxy]piperidin-1-yl}methylylidene]biscarbamate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCC(ONC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)CC1- InChIKey
BWPJPVGMDGDEMS-GGAORHGYSA-N- Molecular formula
- C30H44N6O8
- Average molar mass
- 616.7 g/mol
Names & identifiers
- Preferred name
- Di-tert-butyl [{4-[({[(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl}amino)oxy]piperidin-1-yl}methylylidene]biscarbamate
- IUPAC
- tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-[4-[[(2S,5R)-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]oxypiperidin-1-yl]methylidene]carbamate
Names & synonyms
BWPJPVGMDGDEMS-GGAORHGYSA-NDi-tert-butyl [{4-[({[(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl}amino)oxy]piperidin-1-yl}methylylidene]biscarbamateDi-tert-butyl[{4-[({[(2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]oct-2-yl]carbonyl}amino)oxy]piperidin-1-yl}methylylidene]biscarbamate
Database identifiers
- PubChem CID
- 86699596
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,070
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Related reactions
6 records
Compound notes
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