| PDB CCD ID: | UQE |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C21 H20 N6 O5 S2 |
| InChI: | InChI=1S/C21H20N6O5S2/c28-16-6-4-14(5-7-16)11-18(21(29)25-30)27-13-15(24-26-27)12-23-34(31,32)20-9-8-19(33-20)17-3-1-2-10-22-17/h1-10,13,18,23,28,30H,11-12H2,(H,25,29)/t18-/m0/s1 |
| InChIKey: | QHHWCHMBFWYFFS-SFHVURJKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | ONC(=O)[CH](Cc1ccc(O)cc1)n2cc(CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2 | | OpenEye OEToolkits 2.0.7 | c1ccnc(c1)c2ccc(s2)S(=O)(=O)NCc3cn(nn3)C(Cc4ccc(cc4)O)C(=O)NO | | OpenEye OEToolkits 2.0.7 | c1ccnc(c1)c2ccc(s2)S(=O)(=O)NCc3cn(nn3)[C@@H](Cc4ccc(cc4)O)C(=O)NO | | CACTVS 3.385 | ONC(=O)[C@H](Cc1ccc(O)cc1)n2cc(CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2 |
|
| Name: | (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide |
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