VRT
Summary
| Name: | 2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE |
| Formula: | C15 H23 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 365.388 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.7.6 | N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H23N7O4/c1-2-3-7(16)14(25)21-9-11(24)8(4-23)26-15(9)22-6-20-10-12(17)18-5-19-13(10)22/h5-9,11,15,23-24H,2-4,16H2,1H3,(H,21,25)(H2,17,18,19)/t7-,8+,9+,11+,15+/m0/s1 |
| InChIKey | InChI | 1.03 | NWKNSTYARDJRIZ-IEUWZBGXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@H](N)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.385 | CCC[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCC(C(=O)NC1C(C(OC1n2cnc3c2ncnc3N)CO)O)N |
