| PDB CCD ID: | G3Y |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H15 N O3 S |
| InChI: | InChI=1S/C12H15NO3S/c13-9-8-6-15-12(16-8)11(10(9)14)17-7-4-2-1-3-5-7/h1-5,8-12,14H,6,13H2/t8-,9+,10-,11+,12-/m0/s1 |
| InChIKey: | OFCUYBHPAYPQJR-MJDLHHQISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1ccc(cc1)SC2C(C(C3COC2O3)N)O | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@@H]3CO[C@H]2O3)N)O | | CACTVS 3.385 | N[CH]1[CH]2CO[CH](O2)[CH](Sc3ccccc3)[CH]1O | | CACTVS 3.385 | N[C@@H]1[C@@H]2CO[C@@H](O2)[C@H](Sc3ccccc3)[C@H]1O |
|
| Name: | (1~{R},2~{S},3~{S},4~{R},5~{S})-2-azanyl-4-phenylsulfanyl-6,8-dioxabicyclo[3.2.1]octan-3-ol |
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