VQX
Summary
| Name: | 8-azido-1-((1S,2S,3S,4S,5R,6S)-2,3,4-trihydroxy-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptan-7-yl)octan-1-one |
| Formula: | C15 H26 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 342.391 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-azido-1-[(1~{S},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptan-7-yl]octan-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H26N4O5/c16-18-17-7-5-3-1-2-4-6-10(21)19-11-9(8-20)13(22)15(24)14(23)12(11)19/h9,11-15,20,22-24H,1-8H2/t9-,11-,12-,13-,14-,15-,19-/m0/s1 |
| InChIKey | InChI | 1.06 | BVEYUFNXLOTLDG-DWDHYAMMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]2[C@H]1N2C(=O)CCCCCCCN=[N+]=[N-] |
| SMILES | CACTVS | 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2[CH]1N2C(=O)CCCCCCCN=[N+]=[N-] |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CCCC(=O)N1[C@@H]2C1[C@@H]([C@H]([C@H]([C@H]2CO)O)O)O)CCCN=[N+]=[N-] |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CCCC(=O)N1C2C1C(C(C(C2CO)O)O)O)CCCN=[N+]=[N-] |
