| PDB CCD ID: | I91 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C16 H11 N O7 S |
| InChI: | InChI=1S/C16H11NO7S/c18-12-5-10-11(6-13(12)25(23,24)17-7-14(19)20)16(22)9-4-2-1-3-8(9)15(10)21/h1-6,17-18H,7H2,(H,19,20) |
| InChIKey: | YKNJQQVUXNATBD-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)CN[S](=O)(=O)c1cc2C(=O)c3ccccc3C(=O)c2cc1O | | ACDLabs 12.01 | O=C(O)CNS(=O)(=O)c1cc2c(cc1O)C(=O)c1ccccc1C2=O | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)C(=O)c3cc(c(cc3C2=O)S(=O)(=O)NCC(=O)O)O |
|
| Name: | N-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)glycine |
| ChEMBL: | CHEMBL5188002 |
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