(Q82853311)

English

N-Hydroxy-N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide

chemical compound

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type of chemical entity

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subclass of

chemical compound

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mass

618.2011424359999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₃₃F₃N₂O₆S

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canonical SMILES

CCCC1(CCc2ccccc2)CC(O)=C(C(CC)c2cccc(N(O)S(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC[C@]1(CC(=C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)N(O)S(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4

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catalog

CAS COVID-19 Anti-Viral Candidate Compounds

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Identifiers

InChI

InChI=1S/C31H33F3N2O6S/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)42-30)25(4-2)22-11-8-12-24(18-22)36(39)43(40,41)27-14-13-23(20-35-27)31(32,33)34/h5-14,18,20,25,37,39H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1

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InChIKey

YEVFABAGWJZFRK-FYBSXPHGSA-N

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DSSTOX compound identifier

DTXCID60808589

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(Q82853311)

N-Hydroxy-N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide

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