FP9
(4R)-4-fluoro-L-proline
| Created: | 2009-08-18 |
| Last modified: | 2024-09-27 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 17 |
| Chiral Atom Count | 2 |
| Bond Count | 17 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (4R)-4-fluoro-L-proline |
| Systematic Name (OpenEye OEToolkits) | (2S,4R)-4-fluoranylpyrrolidine-2-carboxylic acid |
| Formula | C5 H8 F N O2 |
| Molecular Weight | 133.121 |
| Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCC(F)C1 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH](F)CN1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(CNC1C(=O)O)F |
| Canonical SMILES | CACTVS | 3.385 | OC(=O)[C@@H]1C[C@@H](F)CN1 |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C1[C@H](CN[C@@H]1C(=O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4+/m1/s1 |
| InChIKey | InChI | 1.03 | ZIWHMENIDGOELV-DMTCNVIQSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 11902998, 11902999 |
| ChEMBL | CHEMBL1232810 |
| CCDC/CSD | LEGBEG |
| COD | 2235869 |
