L3X
Summary
| Name: | 3'-deoxy-3'-(glycylamino)adenosine 5'-(dihydrogen phosphate) |
| Formula: | C12 H18 N7 O7 P |
| Formal charge: | 0 |
| Formula weight: | 403.288 Da |
| Component type: | DNA OH 3 prime terminus |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3'-deoxy-3'-(glycylamino)adenosine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 2.0.7 | [(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-(2-azanylethanoylamino)-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1NC(=O)CN |
| InChI | InChI | 1.03 | InChI=1S/C12H18N7O7P/c13-1-6(20)18-7-5(2-25-27(22,23)24)26-12(9(7)21)19-4-17-8-10(14)15-3-16-11(8)19/h3-5,7,9,12,21H,1-2,13H2,(H,18,20)(H2,14,15,16)(H2,22,23,24)/t5-,7-,9-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | LEUUMALNMKNMGX-MUIQIWNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES | CACTVS | 3.385 | NCC(=O)N[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)NC(=O)CN)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)NC(=O)CN)O)N |
