IIV
Summary
| Name: | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide |
| Formula: | C9 H12 Br N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 290.114 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H12BrN3O3/c1-6(14)13-7(5-8(11)15)9(16)12-4-2-3-10/h7H,4-5H2,1H3,(H2,11,15)(H,12,16)(H,13,14)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | JMTFRQZEUVQLRL-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H](CC(N)=O)C(=O)NCC#CBr |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH](CC(N)=O)C(=O)NCC#CBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@@H](CC(=O)N)C(=O)NCC#CBr |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC(CC(=O)N)C(=O)NCC#CBr |
