1I4
Summary
| Name: | (R)-N-(1-(6-amino-9H-purin-9-yl)propan-2-yl)-N-(2-phosphonoethyl)glycine |
| Formula: | C12 H19 N6 O5 P |
| Formal charge: | 0 |
| Formula weight: | 358.29 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]-(2-phosphonoethyl)amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H19N6O5P/c1-8(17(5-9(19)20)2-3-24(21,22)23)4-18-7-16-10-11(13)14-6-15-12(10)18/h6-8H,2-5H2,1H3,(H,19,20)(H2,13,14,15)(H2,21,22,23)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | KATXUXXXPKCCGG-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](Cn1cnc2c(N)ncnc12)N(CC[P](O)(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](Cn1cnc2c(N)ncnc12)N(CC[P](O)(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](Cn1cnc2c1ncnc2N)N(CCP(=O)(O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(Cn1cnc2c1ncnc2N)N(CCP(=O)(O)O)CC(=O)O |
