ZRF
Summary
| Name: | 2-[(4E)-2-[(1S)-1-aminoethyl]-4-(hydroxymethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid |
| Synonyms: | 2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid |
| Formula: | C8 H11 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 213.191 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H11N3O4/c1-4(9)7-10-5(3-12)8(15)11(7)2-6(13)14/h3-4,12H,2,9H2,1H3,(H,13,14)/b5-3+/t4-/m0/s1 |
| InChIKey | InChI | 1.06 | FVXPLHKMTPOASN-MXFQXMHVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](N)C1=N\C(=C\O)C(=O)N1CC(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](N)C1=NC(=CO)C(=O)N1CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C1=N/C(=C/O)/C(=O)N1CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C1=NC(=CO)C(=O)N1CC(=O)O)N |
