Basic information
- Standard SMILES
CN[C@H]1[C@@H](C)C[C@@H](c2ccncc2NC(=O)OC(C)(C)C)C[C@H]1NC(=O)OC(C)(C)C- InChIKey
OJENBGVEUCVWJK-MGTHKWJCSA-N- Molecular formula
- C23H38N4O4
- Average molar mass
- 434.6 g/mol
Names & identifiers
- Preferred name
- (+/-)-tert-butyl ((1R,2S,3S,5R)-5-(3-((tert-butoxycarbonyl)amino)pyridin-4-yl)-3-methyl-2-(methylamino)cyclohexyl)carbamate
- IUPAC
- tert-butyl N-[4-[(1R,3S,4S,5R)-3-methyl-4-(methylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-3-pyridinyl]carbamate
Names & synonyms
SCHEMBL15588719OJENBGVEUCVWJK-MGTHKWJCSA-N(+/-)-tert-butyl ((1R,2S,3S,5R)-5-(3-((tert-butoxycarbonyl)amino)pyridin-4-yl)-3-methyl-2-(methylamino)cyclohexyl)carbamate
Database identifiers
- PubChem CID
- 86705268
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 614
Related reactions
3 records
Compound notes
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