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J2D

Summary
Name:N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide
Formula:C20 H19 F3 N2 O4
Formal charge:0
Formula weight:408.371 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]oxane-4-carboxamide
OpenEye OEToolkits2.0.6~{N}-[(1~{R})-2-(oxidanylamino)-2-oxidanylidene-1-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethyl]oxane-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C1COCCC1C(=O)NC(C(=O)NO)c2ccc(cc2)c3cc(F)c(c(c3)F)F
InChIInChI1.03InChI=1S/C20H19F3N2O4/c21-15-9-14(10-16(22)17(15)23)11-1-3-12(4-2-11)18(20(27)25-28)24-19(26)13-5-7-29-8-6-13/h1-4,9-10,13,18,28H,5-8H2,(H,24,26)(H,25,27)/t18-/m1/s1
InChIKeyInChI1.03SOMYBVSBTBMMNM-GOSISDBHSA-N
SMILES_CANONICALCACTVS3.385ONC(=O)[C@H](NC(=O)C1CCOCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILESCACTVS3.385ONC(=O)[CH](NC(=O)C1CCOCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)C3CCOCC3
SMILESOpenEye OEToolkits2.0.6c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)C3CCOCC3

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PDB entries from 2024-03-27

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