| PDB CCD ID: | EW3 |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C9 H14 F N2 O8 P |
| InChI: | InChI=1S/C9H14FN2O8P/c10-6-7(14)4(3-19-21(16,17)18)20-8(6)12-2-1-5(13)11-9(12)15/h4,6-8,14H,1-3H2,(H,11,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 |
| InChIKey: | QEKJBDVYKHPUGN-XVFCMESISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | C1CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)F | | CACTVS 3.385 | O[C@H]1[C@@H](F)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2CCC(=O)NC2=O | | OpenEye OEToolkits 2.0.7 | C1CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F | | CACTVS 3.385 | O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2CCC(=O)NC2=O |
|
| Name: | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)-1,3-diazinan-1-yl]-4-fluoranyl-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
umich.edu