3PX
Summary
| Name: | (3S)-3-(propan-2-yloxy)-L-proline |
| Formula: | C8 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 173.21 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-(propan-2-yloxy)-L-proline |
| OpenEye OEToolkits | 1.7.2 | (2S,3S)-3-propan-2-yloxypyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCCC1OC(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)O[C@H]1CCN[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)O[CH]1CCN[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CC(C)O[C@H]1CCN[C@@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | CC(C)OC1CCNC1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO3/c1-5(2)12-6-3-4-9-7(6)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | KODCZDDLAIOJLZ-BQBZGAKWSA-N |
