A54556 factor B
AlkaPlorer ID: AK045475
Synonym: 'ADEP2', 'A54556 factor B'
IUPAC Name: (2E,4E,6E)-N-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,13S,16S,19S)-13,16,17-trimethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]octa-2,4,6-trienamide
Structure
SMILES: C/C=C/C=C/C=C/C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N=C(O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C37H48N6O8/c1-5-6-7-8-12-19-31(44)39-27(22-26-15-10-9-11-16-26)33(46)40-28-23-51-37(50)30-18-14-21-43(30)34(47)24(2)38-32(45)25(3)41(4)36(49)29-17-13-20-42(29)35(28)48/h5-12,15-16,19,24-25,27-30H,13-14,17-18,20-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/b6-5+,8-7+,19-12+/t24-,25-,27-,28-,29-,30-/m0/s1
InChIKey: UMDXSUFDIAGURI-YTFXDNJKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces hawaiiensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 704.825
TPSA？: 185.00000000000003
MolLogP？: 3.298500000000004
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli (strain K12) | ATP-dependent Clp protease proteolytic subunit | Activity | nan | None | 10.1021/np500158q |
| Escherichia coli (strain K12) | ATP-dependent Clp protease proteolytic subunit | Kd | 700.0 | nM | 10.1021/np500158q |
| Neisseria meningitidis | Neisseria meningitidis | MIC | 0.5 | ug.mL-1 | 10.1021/np500158q |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 16.0 | ug.mL-1 | 10.1021/np500158q |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 0.5 | ug.mL-1 | 10.1021/np500158q |