X10

N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide

Created: 2022-10-25
Last modified:  2023-01-18

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Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count1
Bond Count51
Aromatic Bond Count18
2D diagram of X10
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Chemical Component Summary

NameN-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide
Systematic Name (OpenEye OEToolkits)(2~{R})-~{N}-oxidanyl-2-(2-phenylazanylethanoylamino)-2-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethanamide
FormulaC22 H18 F3 N3 O3
Molecular Weight429.392
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1ccccc1)C(=O)NO
SMILESCACTVS3.385ONC(=O)[CH](NC(=O)CNc1ccccc1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)NCC(=O)NC(c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO
Canonical SMILESCACTVS3.385 ONC(=O)[C@H](NC(=O)CNc1ccccc1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)NCC(=O)N[C@H](c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO
InChIInChI1.06 InChI=1S/C22H18F3N3O3/c23-17-10-15(11-18(24)20(17)25)13-6-8-14(9-7-13)21(22(30)28-31)27-19(29)12-26-16-4-2-1-3-5-16/h1-11,21,26,31H,12H2,(H,27,29)(H,28,30)/t21-/m1/s1
InChIKeyInChI1.06 NAFBHKRYHPXZDP-OAQYLSRUSA-N

Related Resource References

Resource NameReference
PubChem 166451141