WF1
Summary
| Name: | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid |
| Formula: | C12 H24 N2 O7 |
| Formal charge: | 0 |
| Formula weight: | 308.328 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[2-[2-[2-(2-azanylethoxy)ethoxy]ethanoylamino]ethoxy]ethoxy]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(OCCOCC(O)=O)CNC(COCCOCCN)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | YQZVQKYXWPIKIX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCOCCOCC(=O)NCCOCCOCC(O)=O |
| SMILES | CACTVS | 3.385 | NCCOCCOCC(=O)NCCOCCOCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C(COCCOCC(=O)NCCOCCOCC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | C(COCCOCC(=O)NCCOCCOCC(=O)O)N |
