A1INS
Summary
| Name: | 3-cyclohexyl-23,24-dimethoxy-17-methyl-11,22-dioxa-5-aza-23lambda5,24lambda5-diphospha-2,23lambda5-diphosphapentacyclo[21.2.1.01,18.05,10.018,23]hexacosa-18,24-diene-4,12-quinone |
| Formula: | C32 H46 N4 O6 |
| Formal charge: | 0 |
| Formula weight: | 582.731 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C32H46N4O6/c1-22-15-18-41-28-20-24(19-27(39-2)30(28)40-3)29(23-11-5-4-6-12-23)31(37)35-16-9-7-14-26(35)32(38)42-17-10-8-13-25-21-36(22)34-33-25/h19-23,26,29H,4-18H2,1-3H3/t22-,26-,29-/m0/s1 |
| InChIKey | InChI | 1.06 | HBJBVDZIYYVDNJ-ONALNCHISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2cc(OCC[C@H](C)n3cc(CCCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC |
| SMILES | CACTVS | 3.385 | COc1cc2cc(OCC[CH](C)n3cc(CCCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CCOc2cc(cc(c2OC)OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)OCCCCc4cn1nn4)C5CCCCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CCOc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O)OCCCCc4cn1nn4)C5CCCCC5 |
