T3R
Summary
Name: | N,5-dimethyl-L-norleucine |
Formula: | C8 H17 N O2 |
Formal charge: | 0 |
Formula weight: | 159.226 Da |
Component type: | L-peptide linking |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | N,5-dimethyl-L-norleucine |
OpenEye OEToolkits | 2.0.7 | (2~{S})-5-methyl-2-(methylamino)hexanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CNC(CCC(C)C)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C8H17NO2/c1-6(2)4-5-7(9-3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t7-/m0/s1 |
InChIKey | InChI | 1.06 | NEBSZBVQOBTMPC-ZETCQYMHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN[C@@H](CCC(C)C)C(O)=O |
SMILES | CACTVS | 3.385 | CN[CH](CCC(C)C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)CC[C@@H](C(=O)O)NC |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CCC(C(=O)O)NC |