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tert-butyl(3R)-6-cyclohexyl-3-(3-{[(2-pyridinylsulfonyl)amino]methyl}-1,2,4-oxadiazol-5-yl)hexanoate

HCID 16748331
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)C[C@@H](CCCC1CCCCC1)c1nc(CNS(=O)(=O)c2ccccn2)no1
InChIKey
SYIMELZEIUJKDL-LJQANCHMSA-N
Molecular formula
C24H36N4O5S
Average molar mass
492.6 g/mol

Names & identifiers

Preferred name
tert-butyl(3R)-6-cyclohexyl-3-(3-{[(2-pyridinylsulfonyl)amino]methyl}-1,2,4-oxadiazol-5-yl)hexanoate
IUPAC
tert-butyl (3R)-6-cyclohexyl-3-[3-[(pyridin-2-ylsulfonylamino)methyl]-1,2,4-oxadiazol-5-yl]hexanoate

Names & synonyms

SCHEMBL5409858SYIMELZEIUJKDL-LJQANCHMSA-Ntert-butyl (3R)-6-cyclohexyl-3-(3-{[(2-pyridinylsulfonyl)amino]methyl}-1,2,4-oxadiazol-5-yl)hexanoatetert-butyl(3R)-6-cyclohexyl-3-(3-{[(2-pyridinylsulfonyl)amino]methyl}-1,2,4-oxadiazol-5-yl)hexanoate

Database identifiers

PubChem CID
16748331

Properties

Computed structural properties

XLogP
5
Topological polar surface area
133 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
13
Heavy atoms
34
Formal charge
0
Complexity
731

Related reactions

2 records
New reaction record
HRID 1350202 reaction equation
HRID 1350202As productuspto-grants-2007_05
HRID 2084449 reaction equation
HRID 2084449As productuspto-grants-2004_04

Compound notes

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