LSH
Summary
| Name: | [(1R,5R,7R,8S)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate |
| Formula: | C11 H16 N3 O10 P S |
| Formal charge: | 0 |
| Formula weight: | 413.298 Da |
| Component type: | DNA LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.2 | [(1R,5R,7R,8S)-7-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-8-oxidanyl-3,3-bis(oxidanylidene)-6-oxa-3$l^{6}-thia-2-azabicyclo[3.2.1]octan-5-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H16N3O10PS/c1-5-2-14(10(17)12-8(5)16)9-6-7(15)11(24-9,3-23-25(18,19)20)4-26(21,22)13-6/h2,6-7,9,13,15H,3-4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,9-,11+/m1/s1 |
| InChIKey | InChI | 1.03 | BWIQWTUDCFCICX-SZVQBCOZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1=CN([C@@H]2O[C@@]3(CO[P](O)(O)=O)C[S](=O)(=O)N[C@@H]2[C@@H]3O)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CC1=CN([CH]2O[C]3(CO[P](O)(O)=O)C[S](=O)(=O)N[CH]2[CH]3O)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@@](O2)(CS(=O)(=O)N3)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1=CN(C(=O)NC1=O)C2C3C(C(O2)(CS(=O)(=O)N3)COP(=O)(O)O)O |
