| PDB CCD ID: | ZS5 |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C13 H13 N O3 S |
| InChI: | InChI=1S/C13H13NO3S/c15-11-6-7-13(9-4-2-1-3-5-9)14(11)10(8-18-13)12(16)17/h1-5,10H,6-8H2,(H,16,17)/t10-,13+/m0/s1 |
| InChIKey: | MYHDKADJYJOFCW-GXFFZTMASA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC(=O)[CH]1CS[C]2(CCC(=O)N12)c3ccccc3 | | CACTVS 3.385 | OC(=O)[C@@H]1CS[C@]2(CCC(=O)N12)c3ccccc3 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)C23CCC(=O)N2C(CS3)C(=O)O | | ACDLabs 12.01 | O=C(O)C1CSC2(CCC(=O)N12)c1ccccc1 | | OpenEye OEToolkits 2.0.7 | c1ccc(cc1)[C@]23CCC(=O)N2[C@@H](CS3)C(=O)O |
|
| Name: | (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid |
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