Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LE01MK
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| Ligand Name |
(1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
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| Synonyms |
(1S,2R,4S,5R,6S)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
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| Structure |
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Download2D MOL |
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| Formula |
C35H39F3N2O6S
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| Canonical SMILES |
COC1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2CC3C(=C(C2O3)C4=CC=C(C=C4)OCCCN5CCCCC5)C6=CC=C(C=C6)O
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| InChI |
1S/C35H39F3N2O6S/c1-44-28-16-10-26(11-17-28)40(23-35(36,37)38)47(42,43)31-22-30-32(24-6-12-27(41)13-7-24)33(34(31)46-30)25-8-14-29(15-9-25)45-21-5-20-39-18-3-2-4-19-39/h6-17,30-31,34,41H,2-5,18-23H2,1H3/t30-,31+,34+/m0/s1
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| InChIKey |
XSGCNDCZUDNZNQ-BEJSXWRTSA-N
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| PubChem Compound ID | ||||
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