DYG
Summary
| Name: | (3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid |
| Synonyms: | CHROMOPHORE (ASP-TYR-GLY) |
| Formula: | C15 H15 N3 O6 |
| Formal charge: | 0 |
| Formula weight: | 333.296 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-3-amino-3-{(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-2-yl}propanoic acid |
| OpenEye OEToolkits | 1.5.0 | (3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-2-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(N)C1=N/C(C(=O)N1CC(=O)O)=C\c2ccc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(O)=O)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(O)=O)C1=NC(=Cc2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1\C=C/2\C(=O)N(C(=N2)[C@H](CC(=O)O)N)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=C2C(=O)N(C(=N2)C(CC(=O)O)N)CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H15N3O6/c16-10(6-12(20)21)14-17-11(15(24)18(14)7-13(22)23)5-8-1-3-9(19)4-2-8/h1-5,10,19H,6-7,16H2,(H,20,21)(H,22,23)/b11-5-/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | PGTRRWBPGBMHIF-QIMWGGGBSA-N |
