| PDB CCD ID: | A1A0J |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C13 H13 N3 O3 |
| InChI: | InChI=1S/C13H13N3O3/c1-15-8-4-2-3-5-9(8)16(13(15)19)10-6-7-11(17)14-12(10)18/h2-5,10H,6-7H2,1H3,(H,14,17,18)/t10-/m0/s1 |
| InChIKey: | VFDZUWPTOYTMAL-JTQLQIEISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN1c2ccccc2N(C1=O)[C@H]3CCC(=O)NC3=O | | CACTVS 3.385 | CN1C(=O)N([C@H]2CCC(=O)NC2=O)c3ccccc13 | | OpenEye OEToolkits 2.0.7 | CN1c2ccccc2N(C1=O)C3CCC(=O)NC3=O | | ACDLabs 12.01 | O=C1NC(=O)CCC1N1c2ccccc2N(C)C1=O | | CACTVS 3.385 | CN1C(=O)N([CH]2CCC(=O)NC2=O)c3ccccc13 |
|
| Name: | (3S)-3-(3-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-1-yl)piperidine-2,6-dione |
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