PZS
Summary
| Name: | (5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione |
| Formula: | C22 H25 N O6 |
| Formal charge: | 0 |
| Formula weight: | 399.437 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H25NO6/c1-4-5-6-10-13-16-14(2)17(24)21(29-16)19(26)22(28-3,23-20(21)27)18(25)15-11-8-7-9-12-15/h7-13,19,26H,4-6H2,1-3H3,(H,23,27)/b13-10+/t19-,21-,22-/m1/s1 |
| InChIKey | InChI | 1.03 | WDHGEYIVJHPIOB-HVQJOPHCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC\C=C\C1=C(C)C(=O)[C@@]2(O1)[C@@H](O)[C@](NC2=O)(OC)C(=O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CCCCC=CC1=C(C)C(=O)[C]2(O1)[CH](O)[C](NC2=O)(OC)C(=O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCC/C=C/C1=C(C(=O)[C@@]2(O1)[C@H]([C@@](NC2=O)(C(=O)c3ccccc3)OC)O)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCCC=CC1=C(C(=O)C2(O1)C(C(NC2=O)(C(=O)c3ccccc3)OC)O)C |
