UV6
Summary
Name: | ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
Formula: | C18 H25 N O8 |
Formal charge: | 0 |
Formula weight: | 383.393 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-[[(2~{R},4~{R})-4-methyl-2-oxidanyl-3,4-dihydro-2~{H}-chromen-7-yl]oxy]-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C18H25NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-4,6,8,13-18,20,22-24H,5,7H2,1-2H3,(H,19,21)/t8-,13-,14-,15-,16-,17-,18-/m1/s1 |
InChIKey | InChI | 1.06 | STEBYXKOKBUTKJ-ZAIAHUIPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1C[C@H](O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)ccc12 |
SMILES | CACTVS | 3.385 | C[CH]1C[CH](O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)ccc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1C[C@@H](Oc2c1ccc(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)NC(=O)C)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)O)O)NC(=O)C)O |