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Summary Geometry Related PDB entries

A1EKF

Summary

Name:	~{N}-[(4-hydroxyphenyl)methyl]-~{N}-[(2~{R})-2-(4-methoxyphenyl)-2-oxidanyl-ethyl]morpholine-4-carboxamide
Formula:	C21 H26 N2 O5
Formal charge:	0
Formula weight:	386.442 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	~{N}-[(4-hydroxyphenyl)methyl]-~{N}-[(2~{R})-2-(4-methoxyphenyl)-2-oxidanyl-ethyl]morpholine-4-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C21H26N2O5/c1-27-19-8-4-17(5-9-19)20(25)15-23(14-16-2-6-18(24)7-3-16)21(26)22-10-12-28-13-11-22/h2-9,20,24-25H,10-15H2,1H3/t20-/m0/s1
InChIKey	InChI	1.06	OEFSOVWTCFVAQA-FQEVSTJZSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1)[C@@H](O)CN(Cc2ccc(O)cc2)C(=O)N3CCOCC3
SMILES	CACTVS	3.385	COc1ccc(cc1)[CH](O)CN(Cc2ccc(O)cc2)C(=O)N3CCOCC3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)[C@H](CN(Cc2ccc(cc2)O)C(=O)N3CCOCC3)O
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc(cc1)C(CN(Cc2ccc(cc2)O)C(=O)N3CCOCC3)O

250359

PDB entries from 2026-03-11

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