BWF
Summary
| Name: | (2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid |
| Formula: | C8 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 201.177 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-[(~{Z})-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO5/c10-6(4-7(11)12)5-2-1-3-9(5)8(13)14/h4-5,10H,1-3H2,(H,11,12)(H,13,14)/b6-4-/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | ROSCYVZNGZEOEY-YIWIKUPCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)\C=C(O)\[C@@H]1CCCN1C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C=C(O)[CH]1CCCN1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@H](N(C1)C(=O)O)/C(=C/C(=O)O)/O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(N(C1)C(=O)O)C(=CC(=O)O)O |
