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Summary Geometry Related PDB entries

X0I

Summary

Name:	(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
Formula:	C20 H20 F3 N3 O3
Formal charge:	0
Formula weight:	407.386 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-(cyclopentylcarbamamido)-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
OpenEye OEToolkits	2.0.7	(2~{R})-2-(cyclopentylcarbamoylamino)-~{N}-oxidanyl-2-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NC(c1ccc(cc1)c1cc(F)c(F)c(F)c1)C(=O)NO)NC1CCCC1
InChI	InChI	1.06	InChI=1S/C20H20F3N3O3/c21-15-9-13(10-16(22)17(15)23)11-5-7-12(8-6-11)18(19(27)26-29)25-20(28)24-14-3-1-2-4-14/h5-10,14,18,29H,1-4H2,(H,26,27)(H2,24,25,28)/t18-/m1/s1
InChIKey	InChI	1.06	XINQPEYJNGXEFY-GOSISDBHSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)[C@H](NC(=O)NC1CCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILES	CACTVS	3.385	ONC(=O)[CH](NC(=O)NC1CCCC1)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)NC3CCCC3
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)NC3CCCC3

227344

건을2024-11-13부터공개중

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