XHR
Summary
| Name: | (1R,2R,3R,4S)-4-[8-(azanyldiazenyl)octylamino]-3-(hydroxymethyl)cyclopentane-1,2-diol |
| Formula: | C14 H30 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 302.413 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{R},2~{R},3~{R},4~{S})-4-[8-(azanyldiazenyl)octylamino]-3-(hydroxymethyl)cyclopentane-1,2-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H30N4O3/c15-18-17-8-6-4-2-1-3-5-7-16-12-9-13(20)14(21)11(12)10-19/h11-14,16,19-21H,1-10H2,(H2,15,17)/t11-,12-,13+,14+/m0/s1 |
| InChIKey | InChI | 1.06 | FSGISNCKTQXBRQ-IGQOVBAYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NN=NCCCCCCCCN[C@H]1C[C@@H](O)[C@H](O)[C@H]1CO |
| SMILES | CACTVS | 3.385 | NN=NCCCCCCCCN[CH]1C[CH](O)[CH](O)[CH]1CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@@H]([C@@H]([C@H]([C@@H]1O)O)CO)NCCCCCCCCN=NN |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(C(C1O)O)CO)NCCCCCCCCN=NN |
