| PDB CCD ID: | BTW |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C11 H14 O2 S |
| InChI: | InChI=1S/C11H14O2S/c1-8(14)10(11(12)13)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)/t8-,10-/m1/s1 |
| InChIKey: | LYLMADGMEFUMHJ-PSASIEDQSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC(C(Cc1ccccc1)C(=O)O)S | | CACTVS 3.341 | C[CH](S)[CH](Cc1ccccc1)C(O)=O | | ACDLabs 10.04 | O=C(O)C(C(S)C)Cc1ccccc1 | | OpenEye OEToolkits 1.5.0 | C[C@H]([C@@H](Cc1ccccc1)C(=O)O)S | | CACTVS 3.341 | C[C@@H](S)[C@@H](Cc1ccccc1)C(O)=O |
|
| Name: | (2S,3R)-2-benzyl-3-sulfanylbutanoic acid;
(2S,3R)-2-benzyl-3-mercaptobutanoic acid |
| ZINC: | ZINC000058626914 |
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