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Summary Geometry Related PDB entries

UUX

Summary

Name:	(5M)-2-benzyl-6-tert-butyl-3-methyl-4-phenyl-5-(1H-tetrazol-5-yl)pyridine
Formula:	C24 H25 N5
Formal charge:	0
Formula weight:	383.489 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(5M)-2-benzyl-6-tert-butyl-3-methyl-4-phenyl-5-(1H-tetrazol-5-yl)pyridine
OpenEye OEToolkits	3.1.0.0	2-~{tert}-butyl-5-methyl-4-phenyl-6-(phenylmethyl)-3-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC(C)(C)c1nc(Cc2ccccc2)c(C)c(c1c1nnn[NH]1)c1ccccc1
InChI	InChI	1.06	InChI=1S/C24H25N5/c1-16-19(15-17-11-7-5-8-12-17)25-22(24(2,3)4)21(23-26-28-29-27-23)20(16)18-13-9-6-10-14-18/h5-14H,15H2,1-4H3,(H,26,27,28,29)
InChIKey	InChI	1.06	YWCRLYHHKHCFRP-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1c(Cc2ccccc2)nc(c(c3[nH]nnn3)c1c4ccccc4)C(C)(C)C
SMILES	CACTVS	3.385	Cc1c(Cc2ccccc2)nc(c(c3[nH]nnn3)c1c4ccccc4)C(C)(C)C
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1c(nc(c(c1c2ccccc2)c3[nH]nnn3)C(C)(C)C)Cc4ccccc4
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1c(nc(c(c1c2ccccc2)c3[nH]nnn3)C(C)(C)C)Cc4ccccc4

248335

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