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Summary Geometry Related PDB entries

A1HZ4

Summary

Name:	(5~{R})-5-(2-methoxyphenyl)-9-[(2~{R})-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]-3,9-diazaspiro[5.5]undecan-2-one
Formula:	C26 H29 F3 N2 O4
Formal charge:	0
Formula weight:	490.515 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	(5~{R})-5-(2-methoxyphenyl)-9-[(2~{R})-3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoyl]-3,9-diazaspiro[5.5]undecan-2-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C26H29F3N2O4/c1-34-21-11-7-6-10-19(21)20-17-30-22(32)16-24(20)12-14-31(15-13-24)23(33)25(35-2,26(27,28)29)18-8-4-3-5-9-18/h3-11,20H,12-17H2,1-2H3,(H,30,32)/t20-,25+/m0/s1
InChIKey	InChI	1.06	RLJMERPAJNBSDE-NBGIEHNGSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccccc1[C@@H]2CNC(=O)CC23CCN(CC3)C(=O)[C@](OC)(c4ccccc4)C(F)(F)F
SMILES	CACTVS	3.385	COc1ccccc1[CH]2CNC(=O)CC23CCN(CC3)C(=O)[C](OC)(c4ccccc4)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccccc1[C@@H]2CNC(=O)CC23CCN(CC3)C(=O)[C@](c4ccccc4)(C(F)(F)F)OC
SMILES	OpenEye OEToolkits	2.0.7	COc1ccccc1C2CNC(=O)CC23CCN(CC3)C(=O)C(c4ccccc4)(C(F)(F)F)OC

258735

PDB entries from 2026-08-26

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