6KY
Summary
| Name: | (2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid |
| Formula: | C7 H15 N O2 Se |
| Formal charge: | 0 |
| Formula weight: | 224.159 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-(dimethylamino)-4-(methylselanyl)butanoic acid |
| OpenEye OEToolkits | 2.0.4 | (2~{S})-2-(dimethylamino)-4-methylselanyl-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C)(C(CC[Se]C)C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO2Se/c1-8(2)6(7(9)10)4-5-11-3/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | HLLONANTKRYYCG-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[Se]CC[C@H](N(C)C)C(O)=O |
| SMILES | CACTVS | 3.385 | C[Se]CC[CH](N(C)C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN(C)[C@@H](CC[Se]C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN(C)C(CC[Se]C)C(=O)O |
