N0T
Summary
| Name: | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol |
| Formula: | C14 H29 N O4 |
| Formal charge: | 0 |
| Formula weight: | 275.384 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1 |
| InChIKey | InChI | 1.03 | UZTOTQLQFAGSAI-NDKCEZKHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO |
| SMILES | CACTVS | 3.385 | CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCN[C@@H]1[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCNC1C(C(C(C1O)O)O)CO |
