| PDB CCD ID: | 6S6 |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C15 H28 N4 O6 |
| InChI: | InChI=1S/C15H28N4O6/c16-19-18-8-6-4-2-1-3-5-7-17-10-9(15(24)25)11(20)13(22)14(23)12(10)21/h9-14,17,20-23H,1-8H2,(H,24,25)/t9-,10+,11+,12-,13-,14-/m0/s1 |
| InChIKey: | HMWYQBVREFKFKY-KTEZLCCFSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O[CH]1[CH](O)[CH](O)[CH]([CH](NCCCCCCCCN=[N+]=[N-])[CH]1O)C(O)=O | | CACTVS 3.385 | O[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H](NCCCCCCCCN=[N+]=[N-])[C@@H]1O)C(O)=O | | OpenEye OEToolkits 2.0.5 | C(CCCCN=[N+]=[N-])CCCNC1C(C(C(C(C1O)O)O)O)C(=O)O | | OpenEye OEToolkits 2.0.5 | C(CCCCN=[N+]=[N-])CCCN[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)C(=O)O |
|
| Name: | (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid |
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