A1IOB
Summary
| Name: | (2~{S},9~{S})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),22,24-triene-3,10-dione |
| Formula: | C30 H45 N O7 |
| Formal charge: | 0 |
| Formula weight: | 531.681 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},9~{S})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),22,24-triene-3,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C30H45NO7/c1-34-25-20-23-21-26(28(25)35-2)37-19-11-17-36-16-9-4-10-18-38-30(33)24-14-7-8-15-31(24)29(32)27(23)22-12-5-3-6-13-22/h20-22,24,27H,3-19H2,1-2H3/t24-,27-/m0/s1 |
| InChIKey | InChI | 1.06 | SEXSXNNZGUIQRG-IGKIAQTJSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2cc(OCCCOCCCCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)c1OC |
| SMILES | CACTVS | 3.385 | COc1cc2cc(OCCCOCCCCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2cc(c1OC)OCCCOCCCCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2cc(c1OC)OCCCOCCCCCOC(=O)C3CCCCN3C(=O)C2C4CCCCC4 |
