None
AlkaPlorer ID: AK323696
Synonym: None
IUPAC Name: (2R)-2,4-dihydroxy-N-[[1-[4-[(5R)-4-hydroxy-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-2-oxothiophen-3-yl]butyl]triazol-4-yl]methyl]-3,3-dimethylbutanamide
Structure
SMILES: C=C/C(C)=C/[C@@]1(C)SC(=O)C(CCCCN2C=C(CN=C(O)[C@H](O)C(C)(C)CO)N=N2)=C1O
InChI: InChI=1S/C23H34N4O5S/c1-6-15(2)11-23(5)18(29)17(21(32)33-23)9-7-8-10-27-13-16(25-26-27)12-24-20(31)19(30)22(3,4)14-28/h6,11,13,19,28-30H,1,7-10,12,14H2,2-5H3,(H,24,31)/b15-11+/t19-,23+/m0/s1
InChIKey: XQUGASXMFFFRGB-CMHIYEAFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 478.6150000000002
TPSA？: 141.06
MolLogP？: 3.2608
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Francisella tularensis | Francisella tularensis | MIC90 | 250.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | 100.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Staphylococcus aureus | Staphylococcus aureus | MIC90 | 64.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Staphylococcus aureus | Staphylococcus aureus | MIC90 | 100.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Yersinia pestis | Yersinia pestis | MIC90 | 250.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |