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Summary Geometry Related PDB entries

A1B4V

Summary

Name:	(1r,4r)-1-(methoxymethyl)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.1.1]hexane-4-carboxamide
Formula:	C17 H22 N2 O4
Formal charge:	0
Formula weight:	318.368 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	(1r,4r)-1-(methoxymethyl)-2-[(2-methoxyphenyl)acetyl]-2-azabicyclo[2.1.1]hexane-4-carboxamide
OpenEye OEToolkits	3.1.0.0	1-(methoxymethyl)-2-[2-(2-methoxyphenyl)ethanoyl]-2-azabicyclo[2.1.1]hexane-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(Cc1ccccc1OC)N1CC2(CC1(C2)COC)C(N)=O
InChI	InChI	1.06	InChI=1S/C17H22N2O4/c1-22-11-17-8-16(9-17,15(18)21)10-19(17)14(20)7-12-5-3-4-6-13(12)23-2/h3-6H,7-11H2,1-2H3,(H2,18,21)/t16-,17-
InChIKey	InChI	1.06	UCCVWOVHIIFTLD-QAQDUYKDSA-N
SMILES_CANONICAL	CACTVS	3.385	COCC12CC(CN1C(=O)Cc3ccccc3OC)(C2)C(N)=O
SMILES	CACTVS	3.385	COCC12CC(CN1C(=O)Cc3ccccc3OC)(C2)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	COCC12CC(C1)(CN2C(=O)Cc3ccccc3OC)C(=O)N
SMILES	OpenEye OEToolkits	3.1.0.0	COCC12CC(C1)(CN2C(=O)Cc3ccccc3OC)C(=O)N

248636

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