A1IPB
Summary
| Name: | (2R,3R,4R,5S)-2-[2-(1-adamantyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol |
| Formula: | C18 H31 N O4 |
| Formal charge: | 0 |
| Formula weight: | 325.443 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R},4~{R},5~{S})-2-[2-(1-adamantyl)ethyl]-2-(hydroxymethyl)piperidine-3,4,5-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H31NO4/c20-10-18(16(23)15(22)14(21)9-19-18)2-1-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-16,19-23H,1-10H2/t11-,12+,13-,14-,15+,16-,17+,18+/m0/s1 |
| InChIKey | InChI | 1.06 | YQJHNXNNSKQXQN-IFCQLEMFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@]1(CCC23CC4CC(CC(C4)C2)C3)NC[C@H](O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.385 | OC[C]1(CCC23CC4CC(CC(C4)C2)C3)NC[CH](O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@H]([C@@H]([C@@](N1)(CCC23CC4CC(C2)CC(C4)C3)CO)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C2CC3CC1CC(C2)(C3)CCC4(C(C(C(CN4)O)O)O)CO |
