OEE
Summary
| Name: | ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate |
| Formula: | C11 H19 N O4 |
| Formal charge: | 0 |
| Formula weight: | 229.273 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{tert}-butyl ~{N}-[(2~{S})-2-methyl-4-oxidanyl-1-oxidanylidene-pent-4-en-2-yl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H19NO4/c1-8(14)6-11(5,7-13)12-9(15)16-10(2,3)4/h7,14H,1,6H2,2-5H3,(H,12,15)/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | DGQSAFHPNXJDHT-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)OC(=O)N[C@@](C)(CC(O)=C)C=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)OC(=O)N[C](C)(CC(O)=C)C=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@](CC(=C)O)(C=O)NC(=O)OC(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)OC(=O)NC(C)(CC(=C)O)C=O |
