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Summary Geometry Related PDB entries

RQP

Summary

Name:	(5R)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
Formula:	C15 H19 F N2 O4
Formal charge:	0
Formula weight:	310.321 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5R)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione
OpenEye OEToolkits	2.0.6	(5~{R})-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C2(Cc1ccc(cc1)F)C(=O)N(CCOC)C(N2)=O)CO
InChI	InChI	1.03	InChI=1S/C15H19FN2O4/c1-22-9-7-18-13(20)15(6-8-19,17-14(18)21)10-11-2-4-12(16)5-3-11/h2-5,19H,6-10H2,1H3,(H,17,21)/t15-/m0/s1
InChIKey	InChI	1.03	LEFBUGONDDVZFX-HNNXBMFYSA-N
SMILES_CANONICAL	CACTVS	3.385	COCCN1C(=O)N[C@@](CCO)(Cc2ccc(F)cc2)C1=O
SMILES	CACTVS	3.385	COCCN1C(=O)N[C](CCO)(Cc2ccc(F)cc2)C1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	COCCN1C(=O)[C@](NC1=O)(CCO)Cc2ccc(cc2)F
SMILES	OpenEye OEToolkits	2.0.6	COCCN1C(=O)C(NC1=O)(CCO)Cc2ccc(cc2)F

222624

数据于2024-07-17公开中

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