ONX
Summary
| Name: | N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide |
| Formula: | C40 H79 N O2 |
| Formal charge: | 0 |
| Formula weight: | 606.061 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.9.2 | N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C40H79NO2/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-40(43)41-38(3)39(42)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h34,36,38-39,42H,4-33,35,37H2,1-3H3,(H,41,43)/b36-34+/t38-,39+/m1/s1 |
| InChIKey | InChI | 1.03 | OIYVZQWNTPVTQS-XWHBQUFFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O)/C=C/CCCCCCCCCCCCCCC |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C=CCCCCCCCCCCCCCCC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C=CCCCCCCCCCCCCCCC)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCCCCCCCCCC(=O)NC(C)C(C=CCCCCCCCCCCCCCCC)O |
