| PDB CCD ID: | XWR |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H16 Cl2 N2 O2 |
| InChI: | InChI=1S/C14H16Cl2N2O2/c15-12-1-9(2-13(16)3-12)8-20-14(19)18-6-10-4-17-5-11(10)7-18/h1-3,10-11,17H,4-8H2/t10-,11+ |
| InChIKey: | WGVNKNWOMFNQFI-PHIMTYICSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Clc1cc(Cl)cc(COC(=O)N2C[CH]3CNC[CH]3C2)c1 | | ACDLabs 12.01 | Clc1cc(cc(Cl)c1)COC(=O)N1CC2CNCC2C1 | | OpenEye OEToolkits 2.0.7 | c1c(cc(cc1Cl)Cl)COC(=O)N2C[C@H]3CNC[C@H]3C2 | | OpenEye OEToolkits 2.0.7 | c1c(cc(cc1Cl)Cl)COC(=O)N2CC3CNCC3C2 | | CACTVS 3.385 | Clc1cc(Cl)cc(COC(=O)N2C[C@H]3CNC[C@H]3C2)c1 |
|
| Name: | (3,5-dichlorophenyl)methyl (3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate |
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