PR7
Summary
| Name: | 1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline |
| Formula: | C8 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 203.193 Da |
| Component type: | L-PEPTIDE LINKING |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline |
| OpenEye OEToolkits | 1.7.0 | (1S,2S)-1-[(2S)-2,3-dihydroxy-3-oxo-propyl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)CN1C(C(=O)O)CCC1 |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H](CN1CCC[C@H]1C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.370 | O[CH](CN1CCC[CH]1C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CC(N(C1)CC(C(=O)O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO5/c10-6(8(13)14)4-9-3-1-2-5(9)7(11)12/h5-6,10H,1-4H2,(H,11,12)(H,13,14)/t5-,6-/m0/s1 |
| InChIKey | InChI | 1.03 | VWTJOUUXTYKUIB-WDSKDSINSA-N |
