| PDB CCD ID: | WTO |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C15 H20 N2 O5 S |
| InChI: | InChI=1S/C15H20N2O5S/c1-3-14(18)16-11-6-8-12(9-7-11)23(20,21)17-10-4-5-13(17)15(19)22-2/h6-9,13H,3-5,10H2,1-2H3,(H,16,18)/t13-/m0/s1 |
| InChIKey: | XUWWNCVLMRGMIO-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CCC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCC[C@H]2C(=O)OC | | OpenEye OEToolkits 2.0.7 | CCC(=O)Nc1ccc(cc1)S(=O)(=O)N2CCCC2C(=O)OC | | CACTVS 3.385 | CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCC[CH]2C(=O)OC | | CACTVS 3.385 | CCC(=O)Nc1ccc(cc1)[S](=O)(=O)N2CCC[C@H]2C(=O)OC |
|
| Name: | methyl (2~{S})-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxylate |
umich.edu