A1IOC
Summary
| Name: | (2~{S},9~{S},14~{E})-2-cyclohexyl-22,23-dimethoxy-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione |
| Formula: | C29 H41 N O7 |
| Formal charge: | 0 |
| Formula weight: | 515.638 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},9~{S},14~{E})-2-cyclohexyl-22,23-dimethoxy-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C29H41NO7/c1-33-24-19-22-20-25(27(24)34-2)36-18-17-35-15-9-4-10-16-37-29(32)23-13-7-8-14-30(23)28(31)26(22)21-11-5-3-6-12-21/h4,9,19-21,23,26H,3,5-8,10-18H2,1-2H3/b9-4+/t23-,26-/m0/s1 |
| InChIKey | InChI | 1.06 | PNDVORSWFXFXQZ-NJKQNCIPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2cc(OCCOC\C=C\CCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)c1OC |
| SMILES | CACTVS | 3.385 | COc1cc2cc(OCCOCC=CCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2cc(c1OC)OCCOC/C=C/CCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2cc(c1OC)OCCOCC=CCCOC(=O)C3CCCCN3C(=O)C2C4CCCCC4 |
