MX4
Summary
| Name: | {1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID |
| Formula: | C13 H16 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 280.277 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | {1-[4-(benzyloxy)-4-oxobutanoyl]hydrazino}acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[amino-(4-oxo-4-phenylmethoxy-butanoyl)amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CN(N)C(=O)CCC(=O)OCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | NN(CC(O)=O)C(=O)CCC(=O)OCc1ccccc1 |
| SMILES | CACTVS | 3.341 | NN(CC(O)=O)C(=O)CCC(=O)OCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COC(=O)CCC(=O)N(CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)COC(=O)CCC(=O)N(CC(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O5/c14-15(8-12(17)18)11(16)6-7-13(19)20-9-10-4-2-1-3-5-10/h1-5H,6-9,14H2,(H,17,18) |
| InChIKey | InChI | 1.03 | SRDUWAQDKBDRDT-UHFFFAOYSA-N |
