ILM
Summary
| Name: | methyl L-isoleucinate |
| Formula: | C7 H15 N O2 |
| Formal charge: | 0 |
| Formula weight: | 145.199 Da |
| Component type: | L-peptide NH3 amino terminus |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl L-isoleucinate |
| OpenEye OEToolkits | 1.7.6 | methyl (2S,3S)-2-azanyl-3-methyl-pentanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)C(N)C(CC)C |
| InChI | InChI | 1.03 | InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | YXMMTUJDQTVJEN-WDSKDSINSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)[C@H](N)C(=O)OC |
| SMILES | CACTVS | 3.385 | CC[CH](C)[CH](N)C(=O)OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC[C@H](C)[C@@H](C(=O)OC)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCC(C)C(C(=O)OC)N |
