| PDB CCD ID: | QNF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H16 N2 O6 |
| InChI: | InChI=1S/C19H16N2O6/c22-14-3-1-2-10-11(14)7-12(19(25)26)17(10)21-18(24)9-4-5-13-15(6-9)27-8-16(23)20-13/h1-6,12,17,22H,7-8H2,(H,20,23)(H,21,24)(H,25,26)/t12-,17+/m1/s1 |
| InChIKey: | NPDVANGOGQJPGW-PXAZEXFGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)O | | CACTVS 3.385 | OC(=O)[C@@H]1Cc2c(O)cccc2[C@@H]1NC(=O)c3ccc4NC(=O)COc4c3 | | CACTVS 3.385 | OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc4NC(=O)COc4c3 | | ACDLabs 12.01 | O=C(O)C1Cc2c(cccc2O)C1NC(=O)c1ccc2NC(=O)COc2c1 | | OpenEye OEToolkits 2.0.7 | c1cc2c(c(c1)O)C[C@H]([C@H]2NC(=O)c3ccc4c(c3)OCC(=O)N4)C(=O)O |
|
| Name: | (1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid |
