| PDB CCD ID: | RBH |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C14 H27 N4 O9 |
| InChI: | InChI=1S/C14H26N4O9/c15-18-16-1-2-24-3-4-25-5-6-26-8-10(20)17-11-9(7-19)27-14(23)13(22)12(11)21/h9,11-15,19,21-23H,1-8H2/p+1/t9-,11-,12+,13-,14-/m1/s1 |
| InChIKey: | RPRHCZBAXXPRCX-RGCYKPLRSA-O |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(=O)COCCOCCOCCN=[N+]=N | | OpenEye OEToolkits 3.1.0.0 | C(COCCOCCOCC(=O)N[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO)N=[N+]=N | | CACTVS 3.385 | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1NC(=O)COCCOCCOCCN=[N+]=N | | OpenEye OEToolkits 3.1.0.0 | C(COCCOCCOCC(=O)NC1C(OC(C(C1O)O)O)CO)N=[N+]=N |
|
| Name: | ~{N}-[(2~{S},3~{S},4~{S},5~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]-2-oxidanyl-ethanamide |
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