4SZ

tert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate

Created:2015-05-21
Last modified:  2016-03-30

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count1
Bond Count48
Aromatic Bond Count12
2D diagram of 4SZ

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Chemical Component Summary

Nametert-butyl [(1S)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]carbamate
Systematic Name (OpenEye OEToolkits)tert-butyl N-[(1S)-2-(oxidanylamino)-2-oxidanylidene-1-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethyl]carbamate
FormulaC19 H19 F3 N2 O4
Molecular Weight396.36
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(OC(NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO)=O)(C)C
SMILESCACTVS3.385CC(C)(C)OC(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2
SMILESOpenEye OEToolkits1.9.2CC(C)(C)OC(=O)NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO
Canonical SMILESCACTVS3.385 CC(C)(C)OC(=O)N[C@H](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2
Canonical SMILESOpenEye OEToolkits1.9.2 CC(C)(C)OC(=O)N[C@@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO
InChIInChI1.03 InChI=1S/C19H19F3N2O4/c1-19(2,3)28-18(26)23-16(17(25)24-27)11-6-4-10(5-7-11)12-8-13(20)15(22)14(21)9-12/h4-9,16,27H,1-3H3,(H,23,26)(H,24,25)/t16-/m0/s1
InChIKeyInChI1.03 UMEUTLPAUYVXPR-INIZCTEOSA-N

Related Resource References

Resource NameReference
PubChem 118797855