| PDB CCD ID: | 6S4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H20 N2 O |
| InChI: | InChI=1S/C14H20N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h4-7,12,15H,8-9H2,1-3H3,(H,16,17)/t12-/m0/s1 |
| InChIKey: | DMJXRYSGXCLCFP-LBPRGKRZSA-N |
| SMILES: | | Software | SMILES |
|---|
CACTVS 3.385
OpenEye OEToolkits 2.0.5 | CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1 | | OpenEye OEToolkits 2.0.5 | CC(C)(C)NC(=O)C1Cc2ccccc2CN1 | | CACTVS 3.385 | CC(C)(C)NC(=O)[CH]1Cc2ccccc2CN1 |
|
| Name: | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| ChEMBL: | CHEMBL4538578 |
| ZINC: | ZINC000034651176 |
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