| PDB CCD ID: | DD7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H21 N O3 S |
| InChI: | InChI=1S/C19H21NO3S/c21-17-16(20-11-13-7-3-1-4-8-13)15-12-22-19(23-15)18(17)24-14-9-5-2-6-10-14/h1-10,15-21H,11-12H2/t15-,16-,17+,18-,19-/m1/s1 |
| InChIKey: | PZKNEARJFSZCKB-UJWQCDCRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | c1ccc(cc1)CNC2C3COC(O3)C(C2O)Sc4ccccc4 | | CACTVS 3.385 | O[C@H]1[C@H](NCc2ccccc2)[C@H]3CO[C@H](O3)[C@@H]1Sc4ccccc4 | | ACDLabs 12.01 | c1ccccc1CNC3C2OC(OC2)C(C3O)Sc4ccccc4 | | CACTVS 3.385 | O[CH]1[CH](NCc2ccccc2)[CH]3CO[CH](O3)[CH]1Sc4ccccc4 | | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)CN[C@@H]2[C@H]3CO[C@H](O3)[C@@H]([C@H]2O)Sc4ccccc4 |
|
| Name: | (1S,2S,3S,4R,5R)-2-(benzylamino)-4-(phenylsulfanyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol |
| ZINC: | ZINC000012483301 |
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