IML
Summary
| Name: | N-METHYL-ISOLEUCINE |
| Formula: | C7 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 145.199 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-methyl-L-isoleucine |
| OpenEye OEToolkits | 1.5.0 | (2S,3S)-3-methyl-2-methylamino-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC)C(CC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC[C@H](C)[C@H](NC)C(O)=O |
| SMILES | CACTVS | 3.341 | CC[CH](C)[CH](NC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC[C@H](C)[C@@H](C(=O)O)NC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)C(C(=O)O)NC |
| 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-/m0/s1 |
| InChIKey | InChI | 1.03 | KSPIYJQBLVDRRI-WDSKDSINSA-N |
