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Summary Geometry Related PDB entries

A1A2C

Summary

Name:	2-{3-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl}-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)(methyl)carbamate
Formula:	C24 H25 F7 N4 O4
Formal charge:	0
Formula weight:	566.469 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	2-{3-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-2-oxoimidazolidin-1-yl}-4,6-bis(trifluoromethyl)phenyl (4-fluorophenyl)(methyl)carbamate
OpenEye OEToolkits	2.0.7	[2-[3-[(2~{S})-3-(dimethylamino)-2-oxidanyl-propyl]-2-oxidanylidene-imidazolidin-1-yl]-4,6-bis(trifluoromethyl)phenyl] ~{N}-(4-fluorophenyl)-~{N}-methyl-carbamate

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(CN1CCN(c2cc(cc(c2OC(=O)N(C)c2ccc(F)cc2)C(F)(F)F)C(F)(F)F)C1=O)CN(C)C
InChI	InChI	1.06	InChI=1S/C24H25F7N4O4/c1-32(2)12-17(36)13-34-8-9-35(21(34)37)19-11-14(23(26,27)28)10-18(24(29,30)31)20(19)39-22(38)33(3)16-6-4-15(25)5-7-16/h4-7,10-11,17,36H,8-9,12-13H2,1-3H3
InChIKey	InChI	1.06	XOWJYFCVFGFEFB-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN(C)C[C@H](O)CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(F)cc3)C(F)(F)F)C(F)(F)F
SMILES	CACTVS	3.385	CN(C)C[CH](O)CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(F)cc3)C(F)(F)F)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN(C)C[C@@H](CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(cc3)F)C(F)(F)F)C(F)(F)F)O
SMILES	OpenEye OEToolkits	2.0.7	CN(C)CC(CN1CCN(C1=O)c2cc(cc(c2OC(=O)N(C)c3ccc(cc3)F)C(F)(F)F)C(F)(F)F)O

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PDB entries from 2026-01-21

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