45W
Summary
| Name: | (4S)-4-(ethynyloxy)-D-proline |
| Formula: | C7 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 155.151 Da |
| Component type: | D-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-(ethynyloxy)-D-proline |
| OpenEye OEToolkits | 1.9.2 | (2R,4S)-4-ethynoxypyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCC(OC#C)C1 |
| InChI | InChI | 1.03 | InChI=1S/C7H9NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h1,5-6,8H,3-4H2,(H,9,10)/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | SJLMKEOAQSEVOM-NTSWFWBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1C[C@@H](CN1)OC#C |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH](CN1)OC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C#CO[C@H]1C[C@@H](NC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C#COC1CC(NC1)C(=O)O |
