None
AlkaPlorer ID: AK323690
Synonym: None
IUPAC Name: tert-butyl N-[2-[[2-[(2R)-2-methyl-2-[(1E)-2-methylbuta-1,3-dienyl]-5-oxothiophen-3-yl]oxyacetyl]amino]ethyl]carbamate
Structure
SMILES: C=C/C(C)=C/[C@@]1(C)SC(=O)C=C1OCC(O)=NCCN=C(O)OC(C)(C)C
InChI: InChI=1S/C19H28N2O5S/c1-7-13(2)11-19(6)14(10-16(23)27-19)25-12-15(22)20-8-9-21-17(24)26-18(3,4)5/h7,10-11H,1,8-9,12H2,2-6H3,(H,20,22)(H,21,24)/b13-11+/t19-/m1/s1
InChIKey: HZRZDJSSJBFVQK-XSSIKURBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 396.5090000000002
TPSA？: 100.71
MolLogP？: 3.736900000000002
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Francisella tularensis | Francisella tularensis | MIC90 | 54.0 | 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 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jmedchem.6b00236 |
| None | Unchecked | Ki | 200000.0 | nM | 10.1021/acs.jmedchem.6b00236 |