48E
Summary
| Name: | 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine |
| Formula: | C20 H22 N6 O7 |
| Formal charge: | 0 |
| Formula weight: | 458.425 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5'-deoxy-5'-{[(2R)-3-hydroxy-2-(4-phenyl-1H-1,2,3-triazol-1-yl)propanoyl]amino}uridine |
| OpenEye OEToolkits | 1.9.2 | (2R)-N-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-3-oxidanyl-2-(4-phenyl-1,2,3-triazol-1-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)CNC(=O)C(n4nnc(c3ccccc3)c4)CO |
| InChI | InChI | 1.03 | InChI=1S/C20H22N6O7/c27-10-13(26-9-12(23-24-26)11-4-2-1-3-5-11)18(31)21-8-14-16(29)17(30)19(33-14)25-7-6-15(28)22-20(25)32/h1-7,9,13-14,16-17,19,27,29-30H,8,10H2,(H,21,31)(H,22,28,32)/t13-,14-,16-,17-,19-/m1/s1 |
| InChIKey | InChI | 1.03 | FHKBVNPNDGIXHL-RKVZRBGQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H](n1cc(nn1)c2ccccc2)C(=O)NC[C@H]3O[C@H]([C@H](O)[C@@H]3O)N4C=CC(=O)NC4=O |
| SMILES | CACTVS | 3.385 | OC[CH](n1cc(nn1)c2ccccc2)C(=O)NC[CH]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2cn(nn2)[C@H](CO)C(=O)NC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)c2cn(nn2)C(CO)C(=O)NCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O |
