A1INP
Summary
| Name: | 3-cyclohexyl-19,20-dimethoxy-17-methyl-11,15-dioxa-19lambda4-thia-5-aza-18-stannapentacyclo[15.7.0.01,10.010,10.018,23]tetracosa-13,20-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/c1-22-19-35-20-25(33-34-35)13-8-10-16-41-32(38)26-14-7-9-15-36(26)31(37)29(23-11-5-4-6-12-23)24-17-27(39-2)30(40-3)28(18-24)42-21-22/h17-18,20,22-23,26,29H,4-16,19,21H2,1-3H3/t22-,26-,29-/m0/s1 |
| InChIKey | InChI | 1.06 | YTXVEIDMQBSYLS-ONALNCHISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc2cc(OC[C@@H](C)Cn3cc(CCCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC |
| SMILES | CACTVS | 3.385 | COc1cc2cc(OC[CH](C)Cn3cc(CCCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1Cn2cc(nn2)CCCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC1)C5CCCCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1Cn2cc(nn2)CCCCOC(=O)C3CCCCN3C(=O)C(c4cc(c(c(c4)OC)OC)OC1)C5CCCCC5 |
