CWR
Summary
| Name: | (4-methyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl)acetic acid |
| Synonyms: | (ALA-SER-GLY) CHROMOPHORE |
| Formula: | C6 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 156.139 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4-methyl-5-oxo-2,5-dihydro-1H-imidazol-1-yl)acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(4-methyl-5-oxo-2H-imidazol-1-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(=NCN1CC(=O)O)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC1=NCN(CC(O)=O)C1=O |
| SMILES | CACTVS | 3.341 | CC1=NCN(CC(O)=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=NCN(C1=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=NCN(C1=O)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H8N2O3/c1-4-6(11)8(3-7-4)2-5(9)10/h2-3H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.03 | PQCLFXQUIHKATH-UHFFFAOYSA-N |
