N-[(2R,3S,4S,5S,6R)-6-{[(2S,3R,4R,5S)-1,4-diamino-2,5,6-trihydroxyhexan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]acetamide
AlkaPlorer ID: AK542172
Synonym: None
IUPAC Name: N-[(2S,3S,4S,5R,6R)-6-[(2S,3S,4R,5S)-1,4-diamino-2,5,6-trihydroxyhexan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]acetamide
Structure
SMILES: CC(O)=N[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]([C@H](N)[C@H](O)CO)[C@@H](O)CN)O[C@@H]1CO
InChI: InChI=1S/C14H29N3O9/c1-5(20)17-10-8(4-19)25-14(12(24)11(10)23)26-13(6(21)2-15)9(16)7(22)3-18/h6-14,18-19,21-24H,2-4,15-16H2,1H3,(H,17,20)/t6-,7+,8+,9+,10+,11-,12+,13+,14+/m0/s1
InChIKey: UWAJGPKPIKRBHZ-BOPCDOEQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas fluorescens | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 383.39800000000014
TPSA？: 224.47
MolLogP？: -4.8442999999999925
Number of H-Donors: 9
Number of H-Acceptors: 11
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 100.0 | uL/ml | 10.1021/jm00200a016 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 200.0 | uL/ml | 10.1021/jm00200a016 |
| Erwinia | Erwinia | MIC | 100.0 | uL/ml | 10.1021/jm00200a016 |
| Escherichia coli | Escherichia coli | MIC | 100.0 | uL/ml | 10.1021/jm00200a016 |
| Escherichia coli | Escherichia coli | MIC | 200.0 | uL/ml | 10.1021/jm00200a016 |
| Klebsiella | Klebsiella | MIC | nan | None | 10.1021/jm00200a016 |
| Proteus vulgaris | Proteus vulgaris | MIC | 200.0 | uL/ml | 10.1021/jm00200a016 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 200.0 | uL/ml | 10.1021/jm00200a016 |
| Salmonella | Salmonella | MIC | 200.0 | uL/ml | 10.1021/jm00200a016 |
| Serratia | Serratia | MIC | 200.0 | uL/ml | 10.1021/jm00200a016 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 200.0 | uL/ml | 10.1021/jm00200a016 |
| None | NON-PROTEIN TARGET | GI | nan | None | 10.1021/jm00200a016 |
| None | NON-PROTEIN TARGET | MIC | 200.0 | uL/ml | 10.1021/jm00200a016 |