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Summary Geometry Related PDB entries

WRC

Summary

Name:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide
Formula:	C20 H21 F3 N2 O3
Formal charge:	0
Formula weight:	394.388 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide
OpenEye OEToolkits	2.0.7	3,3-dimethyl-~{N}-[(1~{R})-2-(oxidanylamino)-2-oxidanylidene-1-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethyl]butanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CC(C)(C)C)C(=O)NO
InChI	InChI	1.06	InChI=1S/C20H21F3N2O3/c1-20(2,3)10-16(26)24-18(19(27)25-28)12-6-4-11(5-7-12)13-8-14(21)17(23)15(22)9-13/h4-9,18,28H,10H2,1-3H3,(H,24,26)(H,25,27)/t18-/m1/s1
InChIKey	InChI	1.06	NRAVUPOEFDEIOQ-GOSISDBHSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(C)(C)CC(=O)N[C@@H](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2
SMILES	CACTVS	3.385	CC(C)(C)CC(=O)N[CH](C(=O)NO)c1ccc(cc1)c2cc(F)c(F)c(F)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(C)(C)CC(=O)N[C@H](c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	CC(C)(C)CC(=O)NC(c1ccc(cc1)c2cc(c(c(c2)F)F)F)C(=O)NO

220113

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