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Summary Geometry Related PDB entries

YDH

Summary

Name:	1-[2-(cyclohexylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
Formula:	C25 H31 N5 O4
Formal charge:	0
Formula weight:	465.545 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[2-(cyclohexylmethyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl]-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
OpenEye OEToolkits	2.0.7	1-[2-(cyclohexylmethyl)-1,3-bis(oxidanylidene)isoindol-4-yl]-~{N}-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCc1nonc1C)C1CCN(CC1)c1cccc2C(=O)N(CC3CCCCC3)C(=O)c21
InChI	InChI	1.06	InChI=1S/C25H31N5O4/c1-16-20(28-34-27-16)14-26-23(31)18-10-12-29(13-11-18)21-9-5-8-19-22(21)25(33)30(24(19)32)15-17-6-3-2-4-7-17/h5,8-9,17-18H,2-4,6-7,10-15H2,1H3,(H,26,31)
InChIKey	InChI	1.06	LIYHDVZZLXQJCD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nonc1CNC(=O)C2CCN(CC2)c3cccc4C(=O)N(CC5CCCCC5)C(=O)c34
SMILES	CACTVS	3.385	Cc1nonc1CNC(=O)C2CCN(CC2)c3cccc4C(=O)N(CC5CCCCC5)C(=O)c34
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(non1)CNC(=O)C2CCN(CC2)c3cccc4c3C(=O)N(C4=O)CC5CCCCC5
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(non1)CNC(=O)C2CCN(CC2)c3cccc4c3C(=O)N(C4=O)CC5CCCCC5

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