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Summary Geometry Related PDB entries

X4I

Summary

Name:	N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide
Formula:	C22 H16 F5 N3 O3
Formal charge:	0
Formula weight:	465.373 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N~2~-(3,5-difluorophenyl)-N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]glycinamide
OpenEye OEToolkits	2.0.7	(2~{R})-2-[2-[[3,5-bis(fluoranyl)phenyl]amino]ethanoylamino]-~{N}-oxidanyl-2-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CNc1cc(F)cc(F)c1)C(=O)NO
InChI	InChI	1.06	InChI=1S/C22H16F5N3O3/c23-14-7-15(24)9-16(8-14)28-10-19(31)29-21(22(32)30-33)12-3-1-11(2-4-12)13-5-17(25)20(27)18(26)6-13/h1-9,21,28,33H,10H2,(H,29,31)(H,30,32)/t21-/m1/s1
InChIKey	InChI	1.06	LVTVBRDIHXWPMD-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)[C@H](NC(=O)CNc1cc(F)cc(F)c1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILES	CACTVS	3.385	ONC(=O)[CH](NC(=O)CNc1cc(F)cc(F)c1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CNc3cc(cc(c3)F)F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)CNc3cc(cc(c3)F)F

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