RX9
Summary
| Name: | Dehydroisoleucine |
| Synonyms: | (E)-2-azanyl-3-methyl-pent-2-enoic acid |
| Formula: | C6 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 129.157 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-2-azanyl-3-methyl-pent-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H11NO2/c1-3-4(2)5(7)6(8)9/h3,7H2,1-2H3,(H,8,9)/b5-4+ |
| InChIKey | InChI | 1.06 | XORZEQZOEIWCJH-SNAWJCMRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC/C(C)=C(/N)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC(C)=C(N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC/C(=C(\C(=O)O)/N)/C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=C(C(=O)O)N)C |
