WZJ
Summary
| Name: | N-methyl-L-alloisoleucine |
| Formula: | C7 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 145.199 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-methyl-L-alloisoleucine |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R})-3-methyl-2-(methylamino)pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N(C)C(C(=O)O)C(C)CC |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO2/c1-4-5(2)6(8-3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)/t5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | KSPIYJQBLVDRRI-RITPCOANSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)[C@H](NC)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH](NC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](C)[C@@H](C(=O)O)NC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)C(C(=O)O)NC |
