O7G
Summary
Name: | N,N-dimethyl-L-valine |
Formula: | C7 H15 N O2 |
Formal charge: | 0 |
Formula weight: | 145.2 Da |
Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N,N-dimethyl-L-valine |
OpenEye OEToolkits | 2.0.7 | (2~{S})-2-(dimethylamino)-3-methyl-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(C)(C)C(C(=O)O)C(C)C |
InChI | InChI | 1.03 | InChI=1S/C7H15NO2/c1-5(2)6(7(9)10)8(3)4/h5-6H,1-4H3,(H,9,10)/t6-/m0/s1 |
InChIKey | InChI | 1.03 | APGLTERDKORUHK-LURJTMIESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](N(C)C)C(O)=O |
SMILES | CACTVS | 3.385 | CC(C)[CH](N(C)C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@H](C(=O)O)N(C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C(C(=O)O)N(C)C |