None
AlkaPlorer ID: AK324379
Synonym: None
IUPAC Name: (2S)-2-acetamido-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-4-methylpentanamide
Structure
SMILES: CC(O)=N[C@@H](CC(C)C)C(O)=N[C@H]1[C@@H](O)[C@H](N2C=NC3=C(N(C)C)N=CN=C32)O[C@@H]1CO
InChI: InChI=1S/C20H31N7O5/c1-10(2)6-12(24-11(3)29)19(31)25-14-13(7-28)32-20(16(14)30)27-9-23-15-17(26(4)5)21-8-22-18(15)27/h8-10,12-14,16,20,28,30H,6-7H2,1-5H3,(H,24,29)(H,25,31)/t12-,13+,14+,16+,20+/m0/s1
InChIKey: HZBZNXDUICPOEH-GJIZYBQMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. PU-14G | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 449.5120000000002
TPSA？: 161.70999999999998
MolLogP？: 0.8590999999999998
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | None | None | 10.1021/acs.jnatprod.8b00720 |
| Homo sapiens | PC-3 | Activity | None | None | 10.1021/acs.jnatprod.8b00720 |