I2M
Summary
| Name: | 3-methyl-L-alloisoleucine |
| Synonyms: | beta-methylisoleucine |
| 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 | 3-methyl-L-alloisoleucine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3,3-dimethyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(N)C(C)(CC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CCC(C)(C)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | CCC(C)(C)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(C)(C)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)(C)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO2/c1-4-7(2,3)5(8)6(9)10/h5H,4,8H2,1-3H3,(H,9,10)/t5-/m1/s1 |
| InChIKey | InChI | 1.03 | AQIFZAKDNFZWND-RXMQYKEDSA-N |
