LBX
Summary
| Name: | (E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline |
| Formula: | C8 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 201.177 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (E)-5-hydroxy-3-oxo-N-(3-oxopropylidene)-L-norvaline |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-5-oxidanyl-3-oxidanylidene-2-[(~{E})-3-oxidanylidenepropylideneamino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(CCO)C(\N=C\CC=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO5/c10-4-1-3-9-7(8(13)14)6(12)2-5-11/h3-4,7,11H,1-2,5H2,(H,13,14)/b9-3+/t7-/m0/s1 |
| InChIKey | InChI | 1.03 | PXXGDOCPYMGSFI-FHYFFISESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCC(=O)[C@H](N=CCC=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OCCC(=O)[CH](N=CCC=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CO)C(=O)[C@@H](C(=O)O)/N=C/CC=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CO)C(=O)C(C(=O)O)N=CCC=O |
