None
AlkaPlorer ID: AK324345
Synonym: None
IUPAC Name: None
Structure
SMILES: CO[C@H]1[C@H](O[C@H]([C@H]2O[C@@H](N3C=CC(O)=NC3=O)[C@H](O)[C@@H]2O)[C@H](NCCCN=C(O)[C@@H](N=C(O)[C@@H](NC(O)=N[C@H](C(=O)O)C(C)C)[C@@H]2CCNC(=N)N2)[C@@H](OC(=O)CCCCCCCCCCC(C)C)C(C)C)C(=O)O)O[C@H](CN)[C@H]1O
InChI: InChI=1S/C52H89N11O18/c1-26(2)17-14-12-10-8-9-11-13-15-18-32(65)79-40(28(5)6)35(60-45(70)34(29-19-23-57-50(54)58-29)62-51(75)61-33(27(3)4)47(71)72)44(69)56-22-16-21-55-36(48(73)74)41(81-49-43(77-7)37(66)30(25-53)78-49)42-38(67)39(68)46(80-42)63-24-20-31(64)59-52(63)76/h20,24,26-30,33-43,46,49,55,66-68H,8-19,21-23,25,53H2,1-7H3,(H,56,69)(H,60,70)(H,71,72)(H,73,74)(H3,54,57,58)(H,59,64,76)(H2,61,62,75)/t29-,30+,33-,34-,35-,36-,37+,38-,39+,40-,41-,42-,43+,46+,49-/m0/s1
InChIKey: KKRVPASDNIOSCS-JBYXADMUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. NRRL 30471 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1156.3429999999996
TPSA？: 449.39
MolLogP？: 0.7197699999999949
Number of H-Donors: 15
Number of H-Acceptors: 21
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aquifex aeolicus (strain VF5) | Phospho-N-acetylmuramoyl-pentapeptide-transferase | IC50 | 0.32 | nM | 10.1021/acs.jnatprod.7b01054 |
| Escherichia coli | Escherichia coli | MIC | 2.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b01054 |
| Escherichia coli | Escherichia coli | MIC | 32.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b01054 |
| Staphylococcus aureus | Phospho-N-acetylmuramoyl-pentapeptide-transferase | IC50 | 0.0221 | nM | 10.1021/acs.jnatprod.7b01054 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 6.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b01054 |