English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

RWG

Summary

Name:	(5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione
Formula:	C14 H13 F N4 O2
Formal charge:	0
Formula weight:	288.277 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione
OpenEye OEToolkits	2.0.6	(5~{R})-5-[[1-(4-fluorophenyl)-1,2,3-triazol-4-yl]methyl]-5-methyl-pyrrolidine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2nn(c1ccc(F)cc1)cc2CC3(C)NC(=O)CC3=O
InChI	InChI	1.03	InChI=1S/C14H13FN4O2/c1-14(12(20)6-13(21)16-14)7-10-8-19(18-17-10)11-4-2-9(15)3-5-11/h2-5,8H,6-7H2,1H3,(H,16,21)/t14-/m1/s1
InChIKey	InChI	1.03	UUBOMXRWPFJYHC-CQSZACIVSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O)CC1=O
SMILES	CACTVS	3.385	C[C]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O)CC1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F
SMILES	OpenEye OEToolkits	2.0.6	CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F

222624

PDB entries from 2024-07-17

PDB statistics

PDBj update info

Contact PDBj

numon