DYJ
Summary
| Name: | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline |
| Formula: | C10 H13 N O5 |
| Formal charge: | 0 |
| Formula weight: | 227.214 Da |
| Component type: | L-peptide linking |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline |
| OpenEye OEToolkits | 1.7.6 | (2S)-1-[(E)-5-oxidanyl-4,5-bis(oxidanylidene)pent-2-en-2-yl]pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C1N(/C(C)=C/C(C(=O)O)=O)CCC1)O |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO5/c1-6(5-8(12)10(15)16)11-4-2-3-7(11)9(13)14/h5,7H,2-4H2,1H3,(H,13,14)(H,15,16)/b6-5+/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | BJLIRDLXPUFPLT-XPPMVYLVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=C\C(=O)C(O)=O)/N1CCC[C@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=CC(=O)C(O)=O)N1CCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C/C(=C\C(=O)C(=O)O)/N1CCC[C@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=CC(=O)C(=O)O)N1CCCC1C(=O)O |
