7R0
Summary
| Name: | 2-[(4E)-2-[(1S)-1-azanyl-2-(1H-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
| Synonyms: | CHROMOPHORE (HIS-TYR-GLY) |
| Formula: | C17 H17 N5 O4 |
| Formal charge: | 0 |
| Formula weight: | 355.348 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(4~{E})-2-[(1~{S})-1-azanyl-2-(1~{H}-imidazol-4-yl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17N5O4/c18-13(6-11-7-19-9-20-11)16-21-14(17(26)22(16)8-15(24)25)5-10-1-3-12(23)4-2-10/h1-5,7,9,13,23H,6,8,18H2,(H,19,20)(H,24,25)/b14-5+/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | FIDPOCJZDAHCBZ-XJHOQXEQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1c[nH]cn1)C2=NC(=C/c3ccc(O)cc3)/C(=O)N2CC(O)=O |
| SMILES | CACTVS | 3.385 | N[CH](Cc1c[nH]cn1)C2=NC(=Cc3ccc(O)cc3)C(=O)N2CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C/2\C(=O)N(C(=N2)[C@H](Cc3c[nH]cn3)N)CC(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=C2C(=O)N(C(=N2)C(Cc3c[nH]cn3)N)CC(=O)O)O |
