Basic information
- Standard SMILES
C[C@H]1C[C@@H](c2ccncc2NC(=O)OC(C)(C)C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1O- InChIKey
OSMBMCNDNDOQTK-GARXJVFOSA-N- Molecular formula
- C22H35N3O5
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.25767123
Names & identifiers
- Preferred name
- (+/-)-tert-butyl ((1R,2R,3S,5R)-5-(3-((tert-butoxycarbonyl)amino)pyridin-4-yl)-2-hydroxy-3-methylcyclohexyl)carbamate
- IUPAC
- tert-butyl N-[4-[(1R,3S,4R,5R)-4-hydroxy-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-3-pyridinyl]carbamate
Names & synonyms
SCHEMBL15588811OSMBMCNDNDOQTK-GARXJVFOSA-N(+/-)-tert-butyl ((1R,2R,3S,5R)-5-(3-((tert-butoxycarbonyl)amino)pyridin-4-yl)-2-hydroxy-3-methylcyclohexyl)carbamate
Database identifiers
- PubChem CID
- 86705222
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 599
Related reactions
2 records
Compound notes
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