(+/-)-(1S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl methanesulfonate

HCID 86705243

Basic information

Standard SMILES
C[C@H]1C[C@@H](c2ccncc2N)C[C@@H](NC(=O)OC(C)(C)C)[C@H]1OS(C)(=O)=O
InChIKey
WALQIAIOYUCBPF-OJDYBEQGSA-N
Molecular formula
C18H29N3O5S
Average molar mass
399.5 g/mol

Names & identifiers

Preferred name
(+/-)-(1S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl methanesulfonate
IUPAC
[(1S,2S,4R,6R)-4-(3-amino-4-pyridinyl)-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] methanesulfonate

Names & synonyms

SCHEMBL15534439WALQIAIOYUCBPF-OJDYBEQGSA-N(+/-)-(1S,2R,4R,6S)-4-(3-aminopyridin-4-yl)-2-((tert-butoxycarbonyl)amino)-6-methylcyclohexyl methanesulfonate

Database identifiers

PubChem CID
86705243

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
129 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
27

Related reactions

4 records

Compound notes

Loading…