| PDB CCD ID: | A1LXU |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H20 N4 O8 |
| InChI: | InChI=1S/C14H20N4O8/c1-6(20)2-18-9(23)4-17(3-7(21)11(24)8(22)5-19)12-10(18)13(25)16-14(26)15-12/h7-8,11,19,21-22,24H,2-5H2,1H3,(H2,15,16,25,26)/t7-,8+,11-/m0/s1 |
| InChIKey: | HUQODSLWOXPUOK-RNSXUZJQSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(=O)CN1C(=O)CN(C[C@H](O)[C@H](O)[C@H](O)CO)C2=C1C(=O)NC(=O)N2 | | OpenEye OEToolkits 2.0.7 | CC(=O)CN1C(=O)CN(C2=C1C(=O)NC(=O)N2)CC(C(C(CO)O)O)O | | OpenEye OEToolkits 2.0.7 | CC(=O)CN1C(=O)CN(C2=C1C(=O)NC(=O)N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O | | CACTVS 3.385 | CC(=O)CN1C(=O)CN(C[CH](O)[CH](O)[CH](O)CO)C2=C1C(=O)NC(=O)N2 |
|
| Name: | 5-(2-oxidanylidenepropyl)-8-[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]-1,7-dihydropteridine-2,4,6-trione |
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