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Summary Geometry Related PDB entries

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Summary

Name:	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-N~2~-phenylglycinamide
Formula:	C22 H18 F3 N3 O3
Formal charge:	0
Formula weight:	429.392 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]-N~2~-phenylglycinamide
OpenEye OEToolkits	2.0.7	(2~{R})-~{N}-oxidanyl-2-(2-phenylazanylethanoylamino)-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)CNc1ccccc1)C(=O)NO
InChI	InChI	1.06	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
InChIKey	InChI	1.06	NAFBHKRYHPXZDP-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)[C@H](NC(=O)CNc1ccccc1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILES	CACTVS	3.385	ONC(=O)[CH](NC(=O)CNc1ccccc1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NCC(=O)N[C@H](c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)NCC(=O)NC(c2ccc(cc2)c3cc(c(c(c3)F)F)F)C(=O)NO

223532

數據於2024-08-07公開中

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