4OP
Summary
| Name: | (2S,4S)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium |
| Synonyms: | CIS-4OH-D-PROLINE BETAINE |
| Formula: | C7 H14 N O3 |
| Formal charge: | 1 |
| Formula weight: | 160.191 Da |
| Component type: | D-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R,4R)-2-carboxy-4-hydroxy-1,1-dimethylpyrrolidinium |
| OpenEye OEToolkits | 1.7.6 | (2R,4R)-1,1-dimethyl-4-oxidanyl-pyrrolidin-1-ium-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1[N+](C)(C)CC(O)C1 |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO3/c1-8(2)4-5(9)3-6(8)7(10)11/h5-6,9H,3-4H2,1-2H3/p+1/t5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | MUNWAHDYFVYIKH-PHDIDXHHSA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | C[N+]1(C)C[C@H](O)C[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.370 | C[N+]1(C)C[CH](O)C[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[N+]1(C[C@@H](C[C@@H]1C(=O)O)O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | C[N+]1(CC(CC1C(=O)O)O)C |
