| PDB CCD ID: | A1H4C |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C24 H23 N5 O6 S |
| InChI: | InChI=1S/C24H23N5O6S/c25-21-18-22(27-10-26-21)29(11-28-18)23-20(32)19(31)17(35-23)9-36-8-12-4-14(6-15(5-12)24(33)34)13-2-1-3-16(30)7-13/h1-7,10-11,17,19-20,23,30-32H,8-9H2,(H,33,34)(H2,25,26,27)/t17-,19-,20-,23-/m1/s1 |
| InChIKey: | AZOYKQRHBFYEDX-ZDXOVATRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)O)c2cc(cc(c2)C(=O)O)CSCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)O)c2cc(cc(c2)C(=O)O)CSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[CH]3O[CH](CSCc4cc(cc(c4)c5cccc(O)c5)C(O)=O)[CH](O)[CH]3O | | CACTVS 3.385 | Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CSCc4cc(cc(c4)c5cccc(O)c5)C(O)=O)[C@@H](O)[C@H]3O |
|
| Name: | 3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanylmethyl]-5-(3-hydroxyphenyl)benzoic acid;
5-(((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)methyl)-3'-hydroxy-[1,1'-biphenyl]-3-carboxylic acid |
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