A54556 factor C
AlkaPlorer ID: AK045496
Synonym: 'A54556 factor C'
IUPAC Name: (2E,4E)-N-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,9R,13S,16S,19S)-9,13,16,17-tetramethyl-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]hexa-2,4-dienamide
Structure
SMILES: C/C=C/C=C/C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](C)N=C(O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C36H48N6O8/c1-6-7-9-16-30(43)38-26(19-25-13-10-8-11-14-25)32(45)39-27-21-50-36(49)29-18-22(2)20-42(29)33(46)23(3)37-31(44)24(4)40(5)35(48)28-15-12-17-41(28)34(27)47/h6-11,13-14,16,22-24,26-29H,12,15,17-21H2,1-5H3,(H,37,44)(H,38,43)(H,39,45)/b7-6+,16-9+/t22-,23+,24+,26+,27+,28+,29+/m1/s1
InChIKey: QSAOHRAWNOMLMA-XTTYSSIGSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces hawaiiensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 692.814
TPSA？: 185.00000000000003
MolLogP？: 2.988300000000004
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 |
| Neisseria meningitidis | Neisseria meningitidis | MIC | 2.0 | ug.mL-1 | 10.1021/np500158q |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 4.0 | ug.mL-1 | 10.1021/np500158q |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 0.125 | ug.mL-1 | 10.1021/np500158q |