IQT
Summary
| Name: | Korormicin |
| Formula: | C25 H39 N O5 |
| Formal charge: | 0 |
| Formula weight: | 433.581 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-~{N}-[(5~{S})-5-ethyl-5-methyl-2-oxidanylidene-furan-3-yl]-8-[(2~{S},3~{R})-3-octyloxiran-2-yl]-3-oxidanyl-octa-4,6-dienamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C25H39NO5/c1-4-6-7-8-9-12-15-21-22(30-21)16-13-10-11-14-19(27)17-23(28)26-20-18-25(3,5-2)31-24(20)29/h10-11,13-14,18-19,21-22,27H,4-9,12,15-17H2,1-3H3,(H,26,28)/b13-10+,14-11?/t19-,21+,22-,25-/m0/s1 |
| InChIKey | InChI | 1.06 | OXOAWIMFJLEQMT-JFWAKSGWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCC[C@H]1O[C@H]1C\C=C\C=C/[C@H](O)CC(=O)NC2=C[C@](C)(CC)OC2=O |
| SMILES | CACTVS | 3.385 | CCCCCCCC[CH]1O[CH]1CC=CC=C[CH](O)CC(=O)NC2=C[C](C)(CC)OC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCC[C@@H]1[C@@H](O1)CC=CC=C[C@@H](CC(=O)NC2=C[C@](OC2=O)(C)CC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCC1C(O1)CC=CC=CC(CC(=O)NC2=CC(OC2=O)(C)CC)O |
