R7E
Summary
| Name: | 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide |
| Synonyms: | (5-(3'-aminomethyl)phenyl)furan-2-carboxamido-b-L-fucopyranose |
| Formula: | C18 H22 N2 O6 |
| Formal charge: | 0 |
| Formula weight: | 362.377 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | 5-[3-(aminomethyl)phenyl]-~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]furan-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H22N2O6/c1-9-14(21)15(22)16(23)18(25-9)20-17(24)13-6-5-12(26-13)11-4-2-3-10(7-11)8-19/h2-7,9,14-16,18,21-23H,8,19H2,1H3,(H,20,24)/t9-,14+,15+,16-,18-/m0/s1 |
| InChIKey | InChI | 1.06 | NOVNWDXRBIJEJE-GUJIERIFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1O[C@H](NC(=O)c2oc(cc2)c3cccc(CN)c3)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](NC(=O)c2oc(cc2)c3cccc(CN)c3)[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)NC(=O)c2ccc(o2)c3cccc(c3)CN)O)O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1C(C(C(C(O1)NC(=O)c2ccc(o2)c3cccc(c3)CN)O)O)O |
