| PDB CCD ID: | 7LX |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H20 N2 O4 |
| InChI: | InChI=1S/C20H20N2O4/c1-3-26-17-7-5-14(11-18(17)25-2)19(20(23)24)22-16-6-4-15-12-21-9-8-13(15)10-16/h4-12,19,22H,3H2,1-2H3,(H,23,24)/t19-/m1/s1 |
| InChIKey: | IHYCOARTGIZNKD-LJQANCHMSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CCOc1ccc(cc1OC)[C@H](C(=O)O)Nc2ccc3cnccc3c2 | | OpenEye OEToolkits 2.0.6 | CCOc1ccc(cc1OC)C(C(=O)O)Nc2ccc3cnccc3c2 | | CACTVS 3.385 | CCOc1ccc(cc1OC)[CH](Nc2ccc3cnccc3c2)C(O)=O | | CACTVS 3.385 | CCOc1ccc(cc1OC)[C@@H](Nc2ccc3cnccc3c2)C(O)=O |
|
| Name: | (2~{R})-2-(4-ethoxy-3-methoxy-phenyl)-2-(isoquinolin-6-ylamino)ethanoic acid;
2-(4-ethoxy-3-methoxyphenyl)-2-(isoquinolin-6-ylamino)acetic acid |
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