A54556 Factor H
AlkaPlorer ID: AK044677
Synonym: 'A54556 factor H'
IUPAC Name: (2E,4E)-6-hydroxy-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@@H]1C[C@H]2C(=O)OC[C@H](N=C(O)[C@H](CC3=CC=CC=C3)N=C(O)/C=C/C=C/CO)C(=O)N3CCC[C@H]3C(=O)N(C)[C@@H](C)C(O)=N[C@@H](C)C(=O)N2C1
InChI: InChI=1S/C36H48N6O9/c1-22-18-29-36(50)51-21-27(39-32(46)26(19-25-12-7-5-8-13-25)38-30(44)15-9-6-10-17-43)34(48)41-16-11-14-28(41)35(49)40(4)24(3)31(45)37-23(2)33(47)42(29)20-22/h5-10,12-13,15,22-24,26-29,43H,11,14,16-21H2,1-4H3,(H,37,45)(H,38,44)(H,39,46)/b10-6+,15-9+/t22-,23+,24+,26+,27+,28+,29+/m1/s1
InChIKey: ULTZGOUFEVWKKB-XGGQSHOLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces hawaiiensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 708.813
TPSA？: 205.23
MolLogP？: 1.9607000000000028
Number of H-Donors: 4
Number of H-Acceptors: 9
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 | 64.0 | ug.mL-1 | 10.1021/np500158q |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 128.0 | ug.mL-1 | 10.1021/np500158q |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 0.25 | ug.mL-1 | 10.1021/np500158q |