5U7
Summary
| Name: | 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide |
| Formula: | C23 H28 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 460.477 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 5-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-methyl-phenyl]-~{N}1,~{N}3-dimethyl-benzene-1,3-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C23H28N2O8/c1-11-6-12(13-7-14(21(30)24-2)9-15(8-13)22(31)25-3)4-5-16(11)32-23-20(29)19(28)18(27)17(10-26)33-23/h4-9,17-20,23,26-29H,10H2,1-3H3,(H,24,30)(H,25,31)/t17-,18-,19+,20+,23+/m1/s1 |
| InChIKey | InChI | 1.03 | CPNXCPWXQQMNFG-WCZGSDDISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc(cc(c1)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(C)c2)C(=O)NC |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cc(cc(c1)c2ccc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)c(C)c2)C(=O)NC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cc(ccc1O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c3cc(cc(c3)C(=O)NC)C(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cc(ccc1OC2C(C(C(C(O2)CO)O)O)O)c3cc(cc(c3)C(=O)NC)C(=O)NC |
