A1H6N
Summary
| Name: | 2-[[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]phenoxy]ethoxy]phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid |
| Synonyms: | BAPTA |
| Formula: | C22 H24 N2 O10 |
| Formal charge: | 0 |
| Formula weight: | 476.433 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[2-[2-[2-[bis(2-hydroxy-2-oxoethyl)amino]phenoxy]ethoxy]phenyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C22H24N2O10/c25-19(26)11-23(12-20(27)28)15-5-1-3-7-17(15)33-9-10-34-18-8-4-2-6-16(18)24(13-21(29)30)14-22(31)32/h1-8H,9-14H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32) |
| InChIKey | InChI | 1.06 | FTEDXVNDVHYDQW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CN(CC(O)=O)c1ccccc1OCCOc2ccccc2N(CC(O)=O)CC(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CN(CC(O)=O)c1ccccc1OCCOc2ccccc2N(CC(O)=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N(CC(=O)O)CC(=O)O)OCCOc2ccccc2N(CC(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)N(CC(=O)O)CC(=O)O)OCCOc2ccccc2N(CC(=O)O)CC(=O)O |
