BIU
Summary
| Name: | 5-bromo-L-isoleucine |
| Formula: | C6 H12 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 210.069 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-bromo-L-isoleucine |
| OpenEye OEToolkits | 1.5.0 | (2S,3S)-2-amino-5-bromo-3-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | BrCCC(C(N)C(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](CCBr)[C@H](N)C(O)=O |
| SMILES | CACTVS | 3.341 | C[CH](CCBr)[CH](N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CCBr)[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCBr)C(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H12BrNO2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,8H2,1H3,(H,9,10)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.03 | NKCINOJOELVWGT-WHFBIAKZSA-N |
