PDB CCD ID: | 0EN |
Number of entries in BioLiP: | 2 |
Chemical formula: | C26 H31 N3 O3 |
InChI: | InChI=1S/C26H31N3O3/c1-25(2,3)19-11-13-20(14-12-19)29(24(31)21-10-8-16-32-21)22(18-9-7-15-27-17-18)23(30)28-26(4,5)6/h7-17,22H,1-6H3,(H,28,30)/t22-/m1/s1 |
InChIKey: | JXGIYKRRPGCLFV-JOCHJYFZSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | CC(C)(C)c1ccc(cc1)N([C@H](c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3 | CACTVS 3.370 | CC(C)(C)NC(=O)[C@H](N(C(=O)c1occc1)c2ccc(cc2)C(C)(C)C)c3cccnc3 | OpenEye OEToolkits 1.7.6 | CC(C)(C)c1ccc(cc1)N(C(c2cccnc2)C(=O)NC(C)(C)C)C(=O)c3ccco3 | ACDLabs 12.01 | O=C(N(c1ccc(cc1)C(C)(C)C)C(c2cccnc2)C(=O)NC(C)(C)C)c3occc3 | CACTVS 3.370 | CC(C)(C)NC(=O)[CH](N(C(=O)c1occc1)c2ccc(cc2)C(C)(C)C)c3cccnc3 |
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Name: | N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide |
ChEMBL: | CHEMBL2311740 |