M9I
Summary
| Name: | N-(alpha-L-Fucopyranosyl)benzamide |
| Synonyms: | ~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide |
| Formula: | C13 H17 N O5 |
| Formal charge: | 0 |
| Formula weight: | 267.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{R},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO5/c1-7-9(15)10(16)11(17)13(19-7)14-12(18)8-5-3-2-4-6-8/h2-7,9-11,13,15-17H,1H3,(H,14,18)/t7-,9+,10+,11-,13+/m0/s1 |
| InChIKey | InChI | 1.06 | ZYWNMRPOYLXAAW-HTUCIKCGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1O[C@@H](NC(=O)c2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](NC(=O)c2ccccc2)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)NC(=O)c2ccccc2)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(C(C(O1)NC(=O)c2ccccc2)O)O)O |
