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Summary Geometry Related PDB entries

X2T

Summary

Name:	(2R)-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclopropyl-2-methyl-4-oxidanyl-2H-pyrrol-5-one
Formula:	C16 H15 Cl2 N O3
Formal charge:	0
Formula weight:	340.201 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(2~{R})-3-[2,4-bis(chloranyl)-3-methyl-phenyl]carbonyl-1-cyclopropyl-2-methyl-4-oxidanyl-2~{H}-pyrrol-5-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C16H15Cl2NO3/c1-7-11(17)6-5-10(13(7)18)14(20)12-8(2)19(9-3-4-9)16(22)15(12)21/h5-6,8-9,21H,3-4H2,1-2H3/t8-/m1/s1
InChIKey	InChI	1.06	AYQFVTHMLWNKHQ-MRVPVSSYSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@H]1N(C2CC2)C(=O)C(=C1C(=O)c3ccc(Cl)c(C)c3Cl)O
SMILES	CACTVS	3.385	C[CH]1N(C2CC2)C(=O)C(=C1C(=O)c3ccc(Cl)c(C)c3Cl)O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(ccc(c1Cl)C(=O)C2=C(C(=O)N([C@@H]2C)C3CC3)O)Cl
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(ccc(c1Cl)C(=O)C2=C(C(=O)N(C2C)C3CC3)O)Cl

250359

PDB entries from 2026-03-11

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