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 |