UJO
Summary
| Name: | ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide |
| Formula: | C29 H57 N O3 |
| Formal charge: | 0 |
| Formula weight: | 467.768 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H57NO3/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-28(32)27(26-31)30-29(33)25-23-21-19-16-12-10-8-6-4-2/h22,24,27-28,31-32H,3-21,23,25-26H2,1-2H3,(H,30,33)/b24-22-/t27-,28+/m0/s1 |
| InChIKey | InChI | 1.06 | CUYUYRQLXJHPEB-UWJMOZLHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCC\C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCC=C[CH](O)[CH](CO)NC(=O)CCCCCCCCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCC/C=C\[C@H]([C@H](CO)NC(=O)CCCCCCCCCCC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCC=CC(C(CO)NC(=O)CCCCCCCCCCC)O |
