FN8
Summary
| Name: | (~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide |
| Formula: | C17 H31 N3 O7 |
| Formal charge: | 0 |
| Formula weight: | 389.444 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H31N3O7/c1-5-15(22)20(26)9-6-7-14(18-13(3)21)17(24)27-10-8-12(2)11-16(23)19(4)25/h11,14,17,24-26H,5-10H2,1-4H3,(H,18,21)/b12-11-/t14-,17-/m0/s1 |
| InChIKey | InChI | 1.03 | RTBUQAUWUAENOT-KGZSOMBESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(O)CCC[C@H](NC(C)=O)[C@@H](O)OCC\C(C)=C/C(=O)N(C)O |
| SMILES | CACTVS | 3.385 | CCC(=O)N(O)CCC[CH](NC(C)=O)[CH](O)OCCC(C)=CC(=O)N(C)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)N(CCC[C@@H]([C@@H](O)OCC/C(=C\C(=O)N(C)O)/C)NC(=O)C)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)N(CCCC(C(O)OCCC(=CC(=O)N(C)O)C)NC(=O)C)O |
