| PDB CCD ID: | HT8 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C18 H18 N2 O6 |
| InChI: | InChI=1S/C18H18N2O6/c21-8-12-13(22)14(23)15(24)18(26-12)17(25)19-16(20-18)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-15,21-24H,8H2,(H,19,20,25)/t12-,13-,14+,15-,18+/m1/s1 |
| InChIKey: | QSYAFZZRALZDHF-NSIVTLKISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1ccc2cc(ccc2c1)C3=NC4(C(C(C(C(O4)CO)O)O)O)C(=O)N3 | | OpenEye OEToolkits 2.0.6 | c1ccc2cc(ccc2c1)C3=N[C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C(=O)N3 | | CACTVS 3.385 | OC[CH]1O[C]2(N=C(NC2=O)c3ccc4ccccc4c3)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | OC[C@H]1O[C@@]2(N=C(NC2=O)c3ccc4ccccc4c3)[C@H](O)[C@@H](O)[C@@H]1O |
|
| Name: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one |
| ChEMBL: | CHEMBL4514774 |
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