OJB
Summary
| 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 |
| Formula: | C19 H35 N3 O8 |
| Formal charge: | 0 |
| Formula weight: | 433.497 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | IKUNNZGUTWUXRA-LQDZTQBFSA-N |
| SMILES_CANONICAL | 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 |
| SMILES | CACTVS | 3.385 | CCC(=O)NCCCNC(=O)CCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O |
| SMILES_CANONICAL | 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 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)NCCCNC(=O)CCCCOC1C(C(C(C(O1)CO)O)O)NC(=O)C |
