AA1
Summary
| Name: | [1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID |
| Formula: | C8 H14 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 218.207 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [1-(4-ethoxy-4-oxobutanoyl)hydrazino]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[amino-(4-ethoxy-4-oxo-butanoyl)amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N(N)CC(=O)O)CCC(=O)OCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)CCC(=O)N(N)CC(O)=O |
| SMILES | CACTVS | 3.341 | CCOC(=O)CCC(=O)N(N)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)CCC(=O)N(CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)CCC(=O)N(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | HLIXWPZILNATCE-UHFFFAOYSA-N |
