X5H
Summary
| Name: | (~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid |
| Formula: | C8 H13 N O4 |
| Formal charge: | 0 |
| Formula weight: | 187.193 Da |
| Component type: | peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H13NO4/c10-7(11)4-2-1-3-5-9-6-8(12)13/h1,3,9H,2,4-6H2,(H,10,11)(H,12,13)/b3-1+ |
| InChIKey | InChI | 1.06 | NGHLUBBLFARTJA-HNQUOIGGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC/C=C/CNCC(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCC=CCNCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CC(=O)O)/C=C/CNCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(=O)O)C=CCNCC(=O)O |
