JI6
Summary
| Name: | (6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one |
| Formula: | C11 H11 Cu N O4 |
| Formal charge: | 0 |
| Formula weight: | 284.755 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (6~{S})-6-[(1~{R})-1-oxidanylethyl]-2,4-dioxa-7$l^{4}-aza-3$l^{3}-cupratricyclo[7.4.0.0^{3,7}]trideca-1(13),7,9,11-tetraen-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H13NO4.Cu/c1-7(13)10(11(15)16)12-6-8-4-2-3-5-9(8)14;/h2-7,10,13-14H,1H3,(H,15,16);/q;+2/p-2/b12-6+;/t7-,10+;/m1./s1 |
| InChIKey | InChI | 1.06 | RLMUPHKMYNMLMB-NBDMYRNNSA-L |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](O)[C@@H]1N=Cc2ccccc2O[Cu]OC1=O |
| SMILES | CACTVS | 3.385 | C[CH](O)[CH]1N=Cc2ccccc2O[Cu]OC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]([C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C1C(=O)O[Cu]2[N]1=Cc3ccccc3O2)O |
