CFY
Summary
| Name: | [(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
| Synonyms: | CHROMOPHORE (PHE-CYS-TYR-GLY) |
| Formula: | C23 H22 N4 O5 S |
| Formal charge: | 0 |
| Formula weight: | 466.51 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(4Z)-2-{(2R)-2-[(1S)-1-amino-2-phenylethyl]-2-hydroxy-2,5-dihydro-1,3-thiazol-4-yl}-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
| OpenEye OEToolkits | 1.7.2 | 2-[(4Z)-2-[(2R)-2-[(1S)-1-azanyl-2-phenyl-ethyl]-2-oxidanyl-5H-1,3-thiazol-4-yl]-4-[(4-hydroxyphenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CN1C(=O)C(\N=C1C2=NC(O)(SC2)C(N)Cc3ccccc3)=C\c4ccc(O)cc4 |
| InChI | InChI | 1.03 | InChI=1S/C23H22N4O5S/c24-19(11-14-4-2-1-3-5-14)23(32)26-18(13-33-23)21-25-17(22(31)27(21)12-20(29)30)10-15-6-8-16(28)9-7-15/h1-10,19,28,32H,11-13,24H2,(H,29,30)/b17-10-/t19-,23+/m0/s1 |
| InChIKey | InChI | 1.03 | XPQLTRRXETWBBT-IGJXYHSOSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[C@@H](Cc1ccccc1)[C@@]2(O)SCC(=N2)C3=NC(=C\c4ccc(O)cc4)/C(=O)N3CC(O)=O |
| SMILES | CACTVS | 3.370 | N[CH](Cc1ccccc1)[C]2(O)SCC(=N2)C3=NC(=Cc4ccc(O)cc4)C(=O)N3CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)C[C@@H]([C@@]2(N=C(CS2)C3=N/C(=C\c4ccc(cc4)O)/C(=O)N3CC(=O)O)O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)CC(C2(N=C(CS2)C3=NC(=Cc4ccc(cc4)O)C(=O)N3CC(=O)O)O)N |
