CQ2
Summary
| Name: | {(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| Synonyms: | PEPTIDE DERIVED CHROMOPHORE |
| Formula: | C15 H18 N4 O4 |
| Formal charge: | 0 |
| Formula weight: | 318.328 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {(4Z)-4-(4-aminobenzylidene)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[(4Z)-4-[(4-aminophenyl)methylidene]-2-[(1R,2R)-1-azanyl-2-oxidanyl-propyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(\N=C(N1CC(=O)O)C(N)C(O)C)=C\c2ccc(N)cc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H18N4O4/c1-8(20)13(17)14-18-11(15(23)19(14)7-12(21)22)6-9-2-4-10(16)5-3-9/h2-6,8,13,20H,7,16-17H2,1H3,(H,21,22)/t8-,13+/m1/s1 |
| InChIKey | InChI | 1.03 | HNVLCUZQPYOAQU-OQPBUACISA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@@H](O)[C@H](N)C1=N\C(=C/c2ccc(N)cc2)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.370 | C[CH](O)[CH](N)C1=NC(=Cc2ccc(N)cc2)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]([C@@H](C1=N/C(=C\c2ccc(cc2)N)/C(=O)N1CC(=O)O)N)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(C1=NC(=Cc2ccc(cc2)N)C(=O)N1CC(=O)O)N)O |
