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| Ligand ID | OJB |
| InChI | InChI=1S/C19H35N3O8/c1-3-14(25)20-8-6-9-21-15(26)7-4-5-10-29-19-16(22-12(2)24)18(28)17(27)13(11-23)30-19/h13,16-19,23,27-28H,3-11H2,1-2H3,(H,20,25)(H,21,26)(H,22,24)/t13-,16-,17+,18-,19-/m1/s1 |
| InChIKey | IKUNNZGUTWUXRA-LQDZTQBFSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCC(=O)NCCCNC(=O)CCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C | | CACTVS 3.385 | CCC(=O)NCCCNC(=O)CCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O | | CACTVS 3.385 | CCC(=O)NCCCNC(=O)CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O | | OpenEye OEToolkits 2.0.7 | CCC(=O)NCCCNC(=O)CCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C |
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| Formula | C19 H35 N3 O8 |
| Name | 5-[(2~{R},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-~{N}-[3-(propanoylamino)propyl]pentanamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6yau Chain A Residue 1004
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