A3G
Summary
| Name: | 3'-deoxy-3'-(glycylamino)adenosine |
| Formula: | C12 H17 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 323.308 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3'-deoxy-3'-(glycylamino)adenosine |
| OpenEye OEToolkits | 1.7.0 | N-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-2-azanyl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)CN |
| SMILES_CANONICAL | CACTVS | 3.370 | NCC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.370 | NCC(=O)N[CH]1[CH](O)[CH](O[CH]1CO)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)CN)O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)NC(=O)CN)O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H17N7O4/c13-1-6(21)18-7-5(2-20)23-12(9(7)22)19-4-17-8-10(14)15-3-16-11(8)19/h3-5,7,9,12,20,22H,1-2,13H2,(H,18,21)(H2,14,15,16)/t5-,7-,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | XJJYXFHVLHMVGL-MUIQIWNUSA-N |
