QLG
Summary
| Name: | [(4Z)-2-[(1Z)-4-AMINO-4-OXOBUTANIMIDOYL]-4-(2-METHYLPROPYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID |
| Synonyms: | CHROMOPHORE (GLN-LEU-GLY) |
| Formula: | C13 H18 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 294.306 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(4E)-2-[(1Z)-4-amino-4-oxobutanimidoyl]-4-(2-methylpropylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[2-(4-amino-4-oxo-butanimidoyl)-4-(2-methylpropylidene)-5-oxo-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)CCC(=[N@H])C1=N/C(C(=O)N1CC(=O)O)=C/C(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)\C=C/1N=C(N(CC(O)=O)C/1=O)C(=N)CCC(N)=O |
| SMILES | CACTVS | 3.341 | CC(C)C=C1N=C(N(CC(O)=O)C1=O)C(=N)CCC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [H]/N=C(/CCC(=O)N)\C1=NC(=CC(C)C)C(=O)N1CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | [H]N=C(CCC(=O)N)C1=NC(=CC(C)C)C(=O)N1CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H18N4O4/c1-7(2)5-9-13(21)17(6-11(19)20)12(16-9)8(14)3-4-10(15)18/h5,7,14H,3-4,6H2,1-2H3,(H2,15,18)(H,19,20)/b9-5+,14-8- |
| InChIKey | InChI | 1.03 | XVNGQKZRCCJECM-AERIRECASA-N |
