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Summary Geometry Related PDB entries

J6A

Summary

Name:	(2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
Formula:	C22 H23 F3 N2 O3
Formal charge:	0
Formula weight:	420.425 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R)-2-[(cyclohexylacetyl)amino]-N-hydroxy-2-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)acetamide
OpenEye OEToolkits	2.0.6	(2~{R})-2-(2-cyclohexylethanoylamino)-~{N}-oxidanyl-2-[4-[3,4,5-tris(fluoranyl)phenyl]phenyl]ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1CCCCC1CC(=O)NC(c2ccc(cc2)c3cc(F)c(F)c(F)c3)C(=O)NO
InChI	InChI	1.03	InChI=1S/C22H23F3N2O3/c23-17-11-16(12-18(24)20(17)25)14-6-8-15(9-7-14)21(22(29)27-30)26-19(28)10-13-4-2-1-3-5-13/h6-9,11-13,21,30H,1-5,10H2,(H,26,28)(H,27,29)/t21-/m1/s1
InChIKey	InChI	1.03	RSVDOQRQHCVNDT-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.385	ONC(=O)[C@H](NC(=O)CC1CCCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILES	CACTVS	3.385	ONC(=O)[CH](NC(=O)CC1CCCCC1)c2ccc(cc2)c3cc(F)c(F)c(F)c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2cc(c(c(c2)F)F)F)[C@H](C(=O)NO)NC(=O)CC3CCCCC3
SMILES	OpenEye OEToolkits	2.0.6	c1cc(ccc1c2cc(c(c(c2)F)F)F)C(C(=O)NO)NC(=O)CC3CCCCC3

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