IJ3
Summary
| Name: | (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide |
| Formula: | C10 H19 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 279.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H19BrN2O2/c1-7(2)9(13-8(3)14)10(15)12-6-4-5-11/h7,9H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | IEVYCEWEWALKSB-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](NC(C)=O)C(=O)NCCCBr |
| SMILES | CACTVS | 3.385 | CC(C)[CH](NC(C)=O)C(=O)NCCCBr |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](C(=O)NCCCBr)NC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)NCCCBr)NC(=O)C |
