JSK
Summary
| Name: | (2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol |
| Formula: | C17 H25 N7 O4 |
| Formal charge: | 0 |
| Formula weight: | 391.425 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S},4~{R})-2-[[4-[4-[2-[2-(2-azanylidenehydrazinyl)ethoxy]ethoxy]phenyl]-1,2,3-triazol-1-yl]methyl]pyrrolidine-3,4-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H25N7O4/c18-22-20-5-6-27-7-8-28-13-3-1-12(2-4-13)14-10-24(23-21-14)11-15-17(26)16(25)9-19-15/h1-4,10,15-17,19,25-26H,5-9,11H2,(H2,18,20)/t15-,16+,17-/m0/s1 |
| InChIKey | InChI | 1.03 | WVTAXSQMBJVQAL-BBWFWOEESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1CN[C@@H](Cn2cc(nn2)c3ccc(OCCOCCNN=N)cc3)[C@@H]1O |
| SMILES | CACTVS | 3.385 | O[CH]1CN[CH](Cn2cc(nn2)c3ccc(OCCOCCNN=N)cc3)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=N/NCCOCCOc1ccc(cc1)c2cn(nn2)C[C@H]3[C@@H]([C@@H](CN3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1c2cn(nn2)CC3C(C(CN3)O)O)OCCOCCNN=N |
