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 |
