| PDB CCD ID: | 0TH |
| Number of entries in BioLiP: | 0 |
| Chemical formula: | C7 H15 N O5 S |
| InChI: | InChI=1S/C7H15NO5S/c1-3-4-14(12,13)8-6(5(2)9)7(10)11/h5-6,8-9H,3-4H2,1-2H3,(H,10,11)/t5-,6+/m0/s1 |
| InChIKey: | ZTJRRQPXOMIKLP-NTSWFWBYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | CCCS(=O)(=O)NC(C(C)O)C(=O)O | | CACTVS 3.370 | CCC[S](=O)(=O)N[C@H]([C@H](C)O)C(O)=O | | ACDLabs 12.01 | O=S(=O)(NC(C(=O)O)C(O)C)CCC | | CACTVS 3.370 | CCC[S](=O)(=O)N[CH]([CH](C)O)C(O)=O | | OpenEye OEToolkits 1.7.0 | CCCS(=O)(=O)N[C@H]([C@H](C)O)C(=O)O |
|
| Name: | N-(propylsulfonyl)-D-threonine |
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