OVD
Summary
| Name: | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(1~{H}-1,2,3-triazol-4-ylmethoxy)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide |
| Formula: | C20 H34 N4 O11 |
| Formal charge: | 0 |
| Formula weight: | 506.504 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(1~{H}-1,2,3-triazol-4-ylmethoxy)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H34N4O11/c1-3-4-31-19-13(22-9(2)27)15(29)17(12(7-26)34-19)35-20-16(30)18(14(28)11(6-25)33-20)32-8-10-5-21-24-23-10/h5,11-20,25-26,28-30H,3-4,6-8H2,1-2H3,(H,22,27)(H,21,23,24)/t11-,12-,13-,14+,15-,16-,17-,18+,19-,20+/m1/s1 |
| InChIKey | InChI | 1.06 | BHUHIMJWCDUIMU-MRHFAZSRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OCc3c[nH]nn3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O |
| SMILES | CACTVS | 3.385 | CCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OCc3c[nH]nn3)[CH]2O)[CH](O)[CH]1NC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)OCc3c[nH]nn3)O)O)NC(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OCc3c[nH]nn3)O)O)NC(=O)C |
