777
Summary
| Name: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid |
| Synonyms: | D-Trp-G |
| Formula: | C12 H19 N6 O7 P |
| Formal charge: | 0 |
| Formula weight: | 390.289 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H19N6O7P/c1-2-15-26(22,23)24-3-5-7(19)8(20)11(25-5)18-4-14-6-9(18)16-12(13)17-10(6)21/h4-5,7-8,11,19-20H,2-3H2,1H3,(H2,15,22,23)(H3,13,16,17,21)/t5-,7-,8-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | BTIPXEHUJHIGFX-IOSLPCCCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(=O)N=C(N)Nc23 |
| SMILES | CACTVS | 3.385 | CCN[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=O)N=C(N)Nc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCNP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2NC(=NC3=O)N)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCNP(=O)(O)OCC1C(C(C(O1)n2cnc3c2NC(=NC3=O)N)O)O |
