HQX
Summary
| Name: | (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide |
| Formula: | C11 H17 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 289.169 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H17BrN2O2/c1-4-8(2)10(14-9(3)15)11(16)13-7-5-6-12/h8,10H,4,7H2,1-3H3,(H,13,16)(H,14,15)/t8-,10-/m0/s1 |
| InChIKey | InChI | 1.06 | RXUWJGHXIHPACB-WPRPVWTQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC#CBr |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH](NC(C)=O)C(=O)NCC#CBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@H](C)[C@@H](C(=O)NCC#CBr)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)C(C(=O)NCC#CBr)NC(=O)C |
