A1IH4
Summary
| Name: | beta-L-fucopyranosyl-1H-indole-6-carboxamide |
| Synonyms: | N-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-1H-indole-5-carboxamide |
| Formula: | C15 H18 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 306.314 Da |
| Component type: | L-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S},3~{S},4~{R},5~{S},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-indole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H18N2O5/c1-7-11(18)12(19)13(20)15(22-7)17-14(21)9-2-3-10-8(6-9)4-5-16-10/h2-7,11-13,15-16,18-20H,1H3,(H,17,21)/t7-,11+,12+,13-,15-/m0/s1 |
| InChIKey | InChI | 1.06 | IZLXHXGEKDQVRW-VUOWJXOESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1O[C@H](NC(=O)c2ccc3[nH]ccc3c2)[C@@H](O)[C@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | C[CH]1O[CH](NC(=O)c2ccc3[nH]ccc3c2)[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)c2ccc3c(c2)cc[nH]3)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(C(C(C(O1)NC(=O)c2ccc3c(c2)cc[nH]3)O)O)O |
