A-500359 E
AlkaPlorer ID: AK011097
Synonym: 'A-500359e', 'A-500359 E'
IUPAC Name: methyl (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate
Structure
SMILES: COC(=O)C1=C[C@H](O)[C@H](O)[C@@H](O[C@@H](C(=N)O)[C@H]2O[C@@H](N3C=CC(O)=NC3=O)[C@H](O)[C@@H]2OC)O1
InChI: InChI=1S/C18H23N3O12/c1-29-11-10(25)15(21-4-3-8(23)20-18(21)28)32-12(11)13(14(19)26)33-17-9(24)6(22)5-7(31-17)16(27)30-2/h3-6,9-13,15,17,22,24-25H,1-2H3,(H2,19,26)(H,20,23,28)/t6-,9-,10+,11-,12-,13+,15+,17+/m0/s1
InChIKey: PURGDQCDJJEGGD-PTRINMDFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces griseus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 473.3910000000002
TPSA？: 223.11
MolLogP？: -2.722329999999996
Number of H-Donors: 6
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Phospho-N-acetylmuramoyl-pentapeptide-transferase | IC50 | 0.027 | ug.mL-1 | 10.1016/s0960-894x(03)00596-1 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 100.0 | ug.mL-1 | 10.1016/s0960-894x(03)00596-1 |