(1R,4R)-5,7-dimethyl-1-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
AlkaPlorer ID: AK122754
Synonym: None
IUPAC Name: (1R,4R)-5,7-dimethyl-1-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
Structure
SMILES: CC(C)=CCOC1=CC=C(C[C@]23SS[C@H](C(=O)N2C)N(C)C3=O)C=C1
InChI: InChI=1S/C18H22N2O3S2/c1-12(2)9-10-23-14-7-5-13(6-8-14)11-18-17(22)19(3)16(24-25-18)15(21)20(18)4/h5-9,16H,10-11H2,1-4H3/t16-,18-/m1/s1
InChIKey: JSIYDGFKARPHEZ-SJLPKXTDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus silvaticus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 378.5190000000001
TPSA？: 49.85
MolLogP？: 2.9219000000000017
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|