IJR
Summary
| Name: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide |
| Formula: | C8 H11 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 247.089 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H11BrN2O2/c1-6(11-7(2)12)8(13)10-5-3-4-9/h6H,5H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | LBAQBIGJPXWVEB-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](NC(C)=O)C(=O)NCC#CBr |
| SMILES | CACTVS | 3.385 | C[CH](NC(C)=O)C(=O)NCC#CBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C(=O)NCC#CBr)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C(=O)NCC#CBr)NC(=O)C |
