REK
Summary
| Name: | D-Aspartate Tenofovir |
| Synonyms: | (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid |
| Formula: | C13 H19 N6 O7 P |
| Formal charge: | 0 |
| Formula weight: | 402.3 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H19N6O7P/c1-7(3-19-5-17-10-11(14)15-4-16-12(10)19)26-6-27(24,25)18-8(13(22)23)2-9(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)(H,22,23)(H2,14,15,16)(H2,18,24,25)/t7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | YBOHKRVDTZQCCV-HTQZYQBOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[C@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(N[C@H](CC(=O)O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cn1cnc2c1ncnc2N)OCP(=O)(NC(CC(=O)O)C(=O)O)O |
