Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1IGK2
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| Ligand Name |
(3s,4s,5r)-3-(3-Bromo-4-Hydroxybenzyl)-5-[(3-Cyclopropylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1,1-Dioxide
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| Synonyms |
CHEMBL1614769; (3s,4s,5r)-3-(3-Bromo-4-Hydroxybenzyl)-5-[(3-Cyclopropylbenzyl)amino]tetrahydro-2h-Thiopyran-4-Ol 1,1-Dioxide; BDBM50341184; Q27454003; (3S,4S,5R)-3-(3-Bromo-4-hydroxy-benzyl)-5-(3-cyclopropyl-benzylamino)-1,1-dioxo-hexahydro-1lambda*6*-thiopyran-4-ol; 3P5
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| Structure |
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Download2D MOL |
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| Formula |
C22H26BrNO4S
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| Canonical SMILES |
C1CC1C2=CC=CC(=C2)CNC3CS(=O)(=O)CC(C3O)CC4=CC(=C(C=C4)O)Br
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| InChI |
1S/C22H26BrNO4S/c23-19-10-14(4-7-21(19)25)8-18-12-29(27,28)13-20(22(18)26)24-11-15-2-1-3-17(9-15)16-5-6-16/h1-4,7,9-10,16,18,20,22,24-26H,5-6,8,11-13H2/t18-,20+,22+/m1/s1
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| InChIKey |
NDEIDRFQAYLHLT-CBQOVEMMSA-N
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| PubChem Compound ID | ||||
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