EWA
Summary
| Name: | [(1S)-1-{[(2,6-DIMETHOXYPHENYL)CARBONYL]AMINO}ETHYL]BORONIC ACID |
| Formula: | C11 H16 B N O5 |
| Formal charge: | 0 |
| Formula weight: | 253.059 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(1S)-1-{[(2,6-dimethoxyphenyl)carbonyl]amino}ethyl]boronic acid |
| OpenEye OEToolkits | 1.6.1 | [(1S)-1-[(2,6-dimethoxyphenyl)carbonylamino]ethyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1c(OC)cccc1OC)NC(B(O)O)C |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1cccc(OC)c1C(=O)N[C@H](C)B(O)O |
| SMILES | CACTVS | 3.352 | COc1cccc(OC)c1C(=O)N[CH](C)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | B([C@@H](C)NC(=O)c1c(cccc1OC)OC)(O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | B(C(C)NC(=O)c1c(cccc1OC)OC)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16BNO5/c1-7(12(15)16)13-11(14)10-8(17-2)5-4-6-9(10)18-3/h4-7,15-16H,1-3H3,(H,13,14)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | DXKXQRZEPYKFAT-SSDOTTSWSA-N |
