A1LXU
Summary
| 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 |
| Formula: | C14 H20 N4 O8 |
| Formal charge: | 0 |
| Formula weight: | 372.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-(2-oxidanylidenepropyl)-8-[(2~{S},3~{S},4~{R})-2,3,4,5-tetrakis(oxidanyl)pentyl]-1,7-dihydropteridine-2,4,6-trione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | 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 | InChI | 1.06 | HUQODSLWOXPUOK-RNSXUZJQSA-N |
| SMILES_CANONICAL | 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 |
| SMILES | CACTVS | 3.385 | CC(=O)CN1C(=O)CN(C[CH](O)[CH](O)[CH](O)CO)C2=C1C(=O)NC(=O)N2 |
| SMILES_CANONICAL | 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 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)CN1C(=O)CN(C2=C1C(=O)NC(=O)N2)CC(C(C(CO)O)O)O |
