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BYW

Summary
Name:2-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide
Formula:C18 H17 F3 N2 O4
Formal charge:0
Formula weight:382.334 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-hydroxy-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-2-methylpropanamide
OpenEye OEToolkits2.0.72-methyl-2-oxidanyl-~{N}-[(1~{R})-2-(oxidanylamino)-2-oxidanylidene-1-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethyl]propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)C(C)(C)O)C(=O)NO
InChIInChI1.06InChI=1S/C18H17F3N2O4/c1-18(2,26)17(25)22-15(16(24)23-27)10-5-3-9(4-6-10)11-7-12(19)14(21)13(20)8-11/h3-8,15,26-27H,1-2H3,(H,22,25)(H,23,24)/t15-/m1/s1
InChIKeyInChI1.06GXJWGRVAVUCTET-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385CC(C)(O)C(=O)N[C@@H](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2
SMILESCACTVS3.385CC(C)(O)C(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)(C(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)O
SMILESOpenEye OEToolkits2.0.7CC(C)(C(=O)NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)O

220472

PDB entries from 2024-05-29

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