NYG
Summary
| Name: | [(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID |
| Synonyms: | CHROMOPHORE (ASN-TYR-GLY) |
| Formula: | C15 H16 N4 O5 |
| Formal charge: | 0 |
| Formula weight: | 332.311 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {(4Z)-2-[(1S)-1,3-diamino-3-oxopropyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(4Z)-2-[(1S)-1,3-diamino-3-oxo-propyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxo-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)CC(N)C1=N/C(C(=O)N1CC(=O)O)=C\c2ccc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC(N)=O)C1=N\C(=C/c2ccc(O)cc2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC(N)=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)N)N)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C=C2C(=O)N(C(=N2)C(CC(=O)N)N)CC(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H16N4O5/c16-10(6-12(17)21)14-18-11(15(24)19(14)7-13(22)23)5-8-1-3-9(20)4-2-8/h1-5,10,20H,6-7,16H2,(H2,17,21)(H,22,23)/b11-5-/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | PASGKYDMGFODGK-QIMWGGGBSA-N |
