CR5
Summary
| Name: | (2R)-2-(AMINOMETHYL)-2,4-DIHYDROXY-5-OXO-3-(2-OXOETHYL)-2,5-DIHYDRO-1H-IMIDAZOL-3-IUM |
| Formula: | C6 H10 N3 O5 |
| Formal charge: | 1 |
| Formula weight: | 204.161 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-2-(aminomethyl)-3-(carboxymethyl)-2,4-dihydroxy-5-oxo-2,5-dihydro-1H-imidazol-3-ium |
| OpenEye OEToolkits | 1.5.0 | 2-[(2R)-2-(aminomethyl)-2,5-dihydroxy-4-oxo-3H-imidazol-1-ium-1-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(O)=[N+](CC(=O)O)C(O)(N1)CN |
| SMILES_CANONICAL | CACTVS | 3.341 | NC[C@@]1(O)NC(=O)C(=[N+]1CC(O)=O)O |
| SMILES | CACTVS | 3.341 | NC[C]1(O)NC(=O)C(=[N+]1CC(O)=O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)[N+]1=C(C(=O)N[C@@]1(CN)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)O)[N+]1=C(C(=O)NC1(CN)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H9N3O5/c7-2-6(14)8-4(12)5(13)9(6)1-3(10)11/h14H,1-2,7H2,(H2,8,10,11,12)/p+1/t6-/m1/s1 |
| InChIKey | InChI | 1.03 | IMYOMVNQPPPJHU-ZCFIWIBFSA-O |
