ZHR
Summary
| Name: | 2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| Formula: | C18 H23 N O7 |
| Formal charge: | 0 |
| Formula weight: | 365.378 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-[2-(1-benzofuran-5-yl)ethoxy]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)NC1C(O)C(O)C(CO)OC1OCCc1ccc2occc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C18H23NO7/c1-10(21)19-15-17(23)16(22)14(9-20)26-18(15)25-6-4-11-2-3-13-12(8-11)5-7-24-13/h2-3,5,7-8,14-18,20,22-23H,4,6,9H2,1H3,(H,19,21)/t14-,15-,16-,17-,18-/m1/s1 |
| InChIKey | InChI | 1.06 | JHBAVCSLSALDCZ-DUQPFJRNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCc2ccc3occc3c2 |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCCc2ccc3occc3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCc2ccc3c(c2)cco3)CO)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1C(C(C(OC1OCCc2ccc3c(c2)cco3)CO)O)O |
