JMI
Summary
| Name: | ~{N}-[2-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethyl]ethanamide |
| Formula: | C16 H23 N O7 |
| Formal charge: | 0 |
| Formula weight: | 341.356 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-[4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]ethyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H23NO7/c1-9(19)17-7-6-10-2-4-11(5-3-10)23-16-15(22)14(21)13(20)12(8-18)24-16/h2-5,12-16,18,20-22H,6-8H2,1H3,(H,17,19)/t12-,13-,14+,15+,16+/m1/s1 |
| InChIKey | InChI | 1.06 | JVYCDFJBIOIPDL-OWYFMNJBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)NCCc1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCc1ccc(cc1)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NCCc1ccc(cc1)OC2C(C(C(C(O2)CO)O)O)O |
