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(Q82914834)
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English
N-(3-{Cyclopropyl[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-4H-pyran-3-yl]methyl}phenyl)-1H-imidazole-2-sulfonamide
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
519.182792028
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₂₉N₃O₅S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC(Cc1ccccc1)c1cc(=O)c(C(c2cccc(NS(=O)(=O)c3ncc[nH]3)c2)C2CC2)c(O)o1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[C@H](Cc1ccccc1)c1cc(=O)c(C(c2cccc(NS(=O)(=O)c3ncc[nH]3)c2)C2CC2)c(O)o1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C28H29N3O5S/c1-2-19(15-18-7-4-3-5-8-18)24-17-23(32)26(27(33)36-24)25(20-11-12-20)21-9-6-10-22(16-21)31-37(34,35)28-29-13-14-30-28/h3-10,13-14,16-17,19-20,25,31,33H,2,11-12,15H2,1H3,(H,29,30)/t19-,25?/m1/s1
0 references
InChIKey
XQSVOXCRHZSXAH-OEPVSBQMSA-N
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CAS Registry Number
174483-83-1
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DSSTox substance ID
DTXSID40938515
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DSSTOX compound identifier
DTXCID701367040
0 references
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