Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L4E8DM
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| Ligand Name |
(1s,3s,4s,5r)-3-{4-Amino-3-Fluoro-5-[(1,1,1,3,3,3-Hexafluoropropan-2-Yl)oxy]benzyl}-5-[(3-Tert-Butylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1-Oxide
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| Synonyms |
CHEMBL2425609; (1s,3s,4s,5r)-3-{4-Amino-3-Fluoro-5-[(1,1,1,3,3,3-Hexafluoropropan-2-Yl)oxy]benzyl}-5-[(3-Tert-Butylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1-Oxide; BDBM50440424; Q27452586; 1YU
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| Structure |
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Download2D MOL |
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| Formula |
C26H31F7N2O3S
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| Canonical SMILES |
CC(C)(C)C1=CC=CC(=C1)CNC2CS(=O)CC(C2O)CC3=CC(=C(C(=C3)F)N)OC(C(F)(F)F)C(F)(F)F
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| InChI |
1S/C26H31F7N2O3S/c1-24(2,3)17-6-4-5-14(8-17)11-35-19-13-39(37)12-16(22(19)36)7-15-9-18(27)21(34)20(10-15)38-23(25(28,29)30)26(31,32)33/h4-6,8-10,16,19,22-23,35-36H,7,11-13,34H2,1-3H3/t16-,19+,22+,39+/m1/s1
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| InChIKey |
SVZBUJIOBQPGEC-DAMLKHMOSA-N
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| PubChem Compound ID | ||||
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