KZY
Summary
| Name: | {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| Synonyms: | CHROMOPHORE (CYS-TYR-GLY)3-CH3 |
| Formula: | C15 H17 N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 335.378 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {(4Z)-2-[(1R)-1-amino-2-sulfanylethyl]-4-[(4-hydroxy-3-methylphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-sulfanyl-ethyl]-4-[(3-methyl-4-oxidanyl-phenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CS)C1=N/C(C(N1CC(=O)O)=O)=C\c2cc(c(cc2)O)C |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3O4S/c1-8-4-9(2-3-12(8)19)5-11-15(22)18(6-13(20)21)14(17-11)10(16)7-23/h2-5,10,19,23H,6-7,16H2,1H3,(H,20,21)/b11-5-/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | BJLXCEQLOHEWMA-QIMWGGGBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(ccc1O)\C=C2/N=C([C@@H](N)CS)N(CC(O)=O)C2=O |
| SMILES | CACTVS | 3.385 | Cc1cc(ccc1O)C=C2N=C([CH](N)CS)N(CC(O)=O)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1O)/C=C\2/C(=O)N(C(=N2)[C@H](CS)N)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1O)C=C2C(=O)N(C(=N2)C(CS)N)CC(=O)O |
