MX8
Summary
| Name: | 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide |
| Formula: | C18 H28 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 336.426 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-hexoxy-~{N}-[(2~{S})-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H28N2O4/c1-4-5-6-7-12-24-15-10-8-14(9-11-15)17(21)19-16(13(2)3)18(22)20-23/h8-11,13,16,23H,4-7,12H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | GUGHZGUQZCBZHP-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO |
| SMILES | CACTVS | 3.385 | CCCCCCOc1ccc(cc1)C(=O)N[CH](C(C)C)C(=O)NO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCOc1ccc(cc1)C(=O)N[C@@H](C(C)C)C(=O)NO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCOc1ccc(cc1)C(=O)NC(C(C)C)C(=O)NO |
