A1IN7
Summary
| Name: | (2~{S},9~{S},14~{S},15~{R})-2-cyclohexyl-20,23-dimethoxy-14,15-bis(oxidanyl)-11,18-dioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(21),19,22-triene-3,10-dione |
| Formula: | C28 H41 N O8 |
| Formal charge: | 0 |
| Formula weight: | 519.627 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},9~{S},14~{S},15~{R})-2-cyclohexyl-20,23-dimethoxy-14,15-bis(oxidanyl)-11,18-dioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(21),19,22-triene-3,10-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C28H41NO8/c1-34-23-16-19-17-24(35-2)26(23)36-14-11-21(30)22(31)12-15-37-28(33)20-10-6-7-13-29(20)27(32)25(19)18-8-4-3-5-9-18/h16-18,20-22,25,30-31H,3-15H2,1-2H3/t20-,21+,22-,25-/m0/s1 |
| InChIKey | InChI | 1.06 | PCRSCUZYOGSBIB-MTQWNXOMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2cc(OC)c1OCC[C@@H](O)[C@@H](O)CCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4 |
| SMILES | CACTVS | 3.385 | COc1cc2cc(OC)c1OCC[CH](O)[CH](O)CCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc2cc(c1OCC[C@H]([C@H](CCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)O)O)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc2cc(c1OCCC(C(CCOC(=O)C3CCCCN3C(=O)C2C4CCCCC4)O)O)OC |
