A1I5X
Summary
| Name: | (2~{S},9~{S})-2-cyclohexyl-19,22-dimethoxy-11,14,17-trioxa-4-azatricyclo[16.2.2.0^{4,9}]docosa-1(21),18(22),19-triene-3,10-dione |
| Formula: | C26 H37 N O7 |
| Formal charge: | 0 |
| Formula weight: | 475.574 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},9~{S})-2-cyclohexyl-19,22-dimethoxy-11,14,17-trioxa-4-azatricyclo[16.2.2.0^{4,9}]docosa-1(21),18(22),19-triene-3,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C26H37NO7/c1-30-21-16-19-17-22(31-2)24(21)33-14-12-32-13-15-34-26(29)20-10-6-7-11-27(20)25(28)23(19)18-8-4-3-5-9-18/h16-18,20,23H,3-15H2,1-2H3/t20-,23-/m0/s1 |
| InChIKey | InChI | 1.06 | NQZNSLUZVXLYAD-REWPJTCUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2cc(OC)c1OCCOCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4 |
| SMILES | CACTVS | 3.385 | COc1cc2cc(OC)c1OCCOCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2cc(c1OCCOCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2cc(c1OCCOCCOC(=O)C3CCCCN3C(=O)C2C4CCCCC4)OC |
