| PDB CCD ID: | G9P |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H11 N O5 S |
| InChI: | InChI=1S/C15H11NO5S/c17-15-9-2-1-3-13-14(9)11(7-16-15)10-6-8(22(18,19)20)4-5-12(10)21-13/h1-6,11H,7H2,(H,16,17)(H,18,19,20)/t11-/m1/s1 |
| InChIKey: | XIIAPOBAFRAUGJ-LLVKDONJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | c1cc2c3c(c1)Oc4ccc(cc4C3CNC2=O)S(=O)(=O)O | | CACTVS 3.352 | O[S](=O)(=O)c1ccc2Oc3cccc4C(=O)NC[C@H](c2c1)c34 | | CACTVS 3.352 | O[S](=O)(=O)c1ccc2Oc3cccc4C(=O)NC[CH](c2c1)c34 | | OpenEye OEToolkits 1.7.0 | c1cc2c3c(c1)Oc4ccc(cc4[C@H]3CNC2=O)S(=O)(=O)O |
|
| Name: | (11bR)-3-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de]isoquinoline-10-sulfonic acid;
1,11b-Dihydro-[1]benzopyrano[4,3,2-de]isoquinolin-3(2H)-one-10-sulphonic acid |
| ZINC: | ZINC000058638488 |
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