QKT
Summary
| Name: | Diperodon (S-enantiomer) |
| Formula: | C22 H27 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 397.467 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [(2~{S})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)/t20-/m0/s1 |
| InChIKey | InChI | 1.03 | YUGZHQHSNYIFLG-FQEVSTJZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccccc1)OC[C@H](CN2CCCCC2)OC(=O)Nc3ccccc3 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccccc1)OC[CH](CN2CCCCC2)OC(=O)Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)OC[C@H](CN2CCCCC2)OC(=O)Nc3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)NC(=O)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3 |
