JWG
Summary
| Name: | 4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid |
| Formula: | C7 H11 N O5 |
| Formal charge: | 0 |
| Formula weight: | 189.166 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(3-hydroxy-3-oxopropylamino)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C7H11NO5/c9-5(1-2-6(10)11)8-4-3-7(12)13/h1-4H2,(H,8,9)(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.06 | NFQWOKKYYQQDCQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCNC(=O)CCC(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCNC(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(CC(=O)O)C(=O)NCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(CC(=O)O)C(=O)NCCC(=O)O |
