OHI
Summary
| Name: | 3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE |
| Formula: | C6 H7 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 169.138 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(2-oxo-2H-imidazol-4-yl)-L-alanine |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-amino-3-(2-oxoimidazol-4-yl)propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1N=C(C=N1)CC(N)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H](CC1=NC(=O)N=C1)C(O)=O |
| SMILES | CACTVS | 3.341 | N[CH](CC1=NC(=O)N=C1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1=NC(=O)N=C1C[C@@H](C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1=NC(=O)N=C1CC(C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H7N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | MWUSZYAURGSGRY-BYPYZUCNSA-N |
