(3S)-1,4-dimethyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-6-sulfanylidenepiperazine-2,5-dione
AlkaPlorer ID: AK042721
Synonym: None
IUPAC Name: (3S)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-6-sulfanylidenepiperazine-2,5-dione
Structure
SMILES: CC(C)=CCOC1=CC=C(C[C@H]2C(=O)N(C)C(=S)C(=O)N2C)C=C1
InChI: InChI=1S/C18H22N2O3S/c1-12(2)9-10-23-14-7-5-13(6-8-14)11-15-16(21)20(4)18(24)17(22)19(15)3/h5-9,15H,10-11H2,1-4H3/t15-/m0/s1
InChIKey: SQAHNUAABSGLKN-HNNXBMFYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus silvaticus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 346.45200000000006
TPSA？: 49.85
MolLogP？: 2.2005
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|