[2-(5-bromo-1H-indol-3-yl)-1-carboxyethyl]trimethylazanium
AlkaPlorer ID: AK319517
Synonym: None
IUPAC Name: [(1S)-2-(5-bromo-1H-indol-3-yl)-1-carboxyethyl]-trimethylazanium
Structure
SMILES: C[N+](C)(C)[C@@H](CC1=CNC2=CC=C(Br)C=C12)C(=O)O
InChI: InChI=1S/C14H17BrN2O2/c1-17(2,3)13(14(18)19)6-9-8-16-12-5-4-10(15)7-11(9)12/h4-5,7-8,13,16H,6H2,1-3H3/p+1/t13-/m0/s1
InChIKey: XFTSJFRJVFXAIB-ZDUSSCGKSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Smenospongia | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Thorectandra | Thorectidae | Dictyoceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 326.21400000000006
TPSA？: 53.09
MolLogP？: 2.6323
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Staphylococcus epidermidis | Staphylococcus epidermidis | MIC | 100.0 | ug.mL-1 | 10.1021/np0501334 |