N-[2-[3-bromo-4-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]phenyl]ethyl]-N-methylpropanamide
AlkaPlorer ID: AK142576
Synonym: None
IUPAC Name: N-[2-[3-bromo-4-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]phenyl]ethyl]-N-methylpropanamide
Structure
SMILES: CCC(=O)N(C)CCC1=CC=C(OCCCN=C(O)CC2=CC=C(O)C=C2)C(Br)=C1
InChI: InChI=1S/C23H29BrN2O4/c1-3-23(29)26(2)13-11-18-7-10-21(20(24)15-18)30-14-4-12-25-22(28)16-17-5-8-19(27)9-6-17/h5-10,15,27H,3-4,11-14,16H2,1-2H3,(H,25,28)
InChIKey: PTWODGACFVPWGX-UHFFFAOYSA-N
Reference
A New Dioic Acid from a wbl Gene Mutant of Deepsea-Derived Streptomyces somaliensis SCSIO ZH66
PubChem CID: 145956571
NPASS: NPC483925
COCONUT: CNP0432891
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 477.3990000000001
TPSA？: 82.36000000000001
MolLogP？: 4.533700000000005
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Yersinia pseudotuberculosis | Yersinia pseudotuberculosis | Activity | nan | None | 10.1021/acs.jnatprod.7b00694 |
| Yersinia pseudotuberculosis | Yersinia pseudotuberculosis | GI | nan | None | 10.1021/acs.jnatprod.7b00694 |
| None | Unchecked | Inhibition | 50.0 | % | 10.1021/acs.jnatprod.7b00694 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.7b00694 |