O66
Summary
| Name: | 3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid |
| Synonyms: | Imidazol-4-one-5-propionic acid |
| Formula: | C6 H8 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 156.139 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(4~{R})-5-oxidanylidene-1,4-dihydroimidazol-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)/t4-/m1/s1 |
| InChIKey | InChI | 1.06 | HEXMLHKQVUFYME-SCSAIBSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CC[C@H]1N=CNC1=O |
| SMILES | CACTVS | 3.385 | OC(=O)CC[CH]1N=CNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1=N[C@@H](C(=O)N1)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1=NC(C(=O)N1)CCC(=O)O |
