| PDB CCD ID: | YF0 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H21 Cl2 N3 O5 S |
| InChI: | InChI=1S/C21H21Cl2N3O5S/c22-17-5-13(6-18(23)7-17)12-31-21(28)26-10-15-8-25(9-16(15)11-26)20(27)14-1-3-19(4-2-14)32(24,29)30/h1-7,15-16H,8-12H2,(H2,24,29,30) |
| InChIKey: | IQCOXMRXONRSKN-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[S](=O)(=O)c1ccc(cc1)C(=O)N2C[C@@H]3CN(C[C@@H]3C2)C(=O)OCc4cc(Cl)cc(Cl)c4 | | CACTVS 3.385 | N[S](=O)(=O)c1ccc(cc1)C(=O)N2C[CH]3CN(C[CH]3C2)C(=O)OCc4cc(Cl)cc(Cl)c4 | | ACDLabs 12.01 | NS(=O)(=O)c1ccc(cc1)C(=O)N1CC2CN(CC2C1)C(=O)OCc1cc(Cl)cc(Cl)c1 | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C(=O)N2C[C@@H]3CN(C[C@@H]3C2)C(=O)OCc4cc(cc(c4)Cl)Cl)S(=O)(=O)N | | OpenEye OEToolkits 2.0.7 | c1cc(ccc1C(=O)N2CC3CN(CC3C2)C(=O)OCc4cc(cc(c4)Cl)Cl)S(=O)(=O)N |
|
| Name: | (3,5-dichlorophenyl)methyl (3aS,6aS)-5-(4-sulfamoylbenzoyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
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