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Summary Geometry Related PDB entries

A1IXF

Summary

Name:	methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate
Formula:	C16 H26 N4 O4 S
Formal charge:	0
Formula weight:	370.467 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C16H26N4O4S/c1-10-19-20-13(25-10)18-11(21)7-17-16(12(22)23-6)8-14(2,3)24-15(4,5)9-16/h17H,7-9H2,1-6H3,(H,18,20,21)
InChIKey	InChI	1.06	CPUHENVWIHLLEI-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COC(=O)C1(CC(C)(C)OC(C)(C)C1)NCC(=O)Nc2sc(C)nn2
SMILES	CACTVS	3.385	COC(=O)C1(CC(C)(C)OC(C)(C)C1)NCC(=O)Nc2sc(C)nn2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1nnc(s1)NC(=O)CNC2(CC(OC(C2)(C)C)(C)C)C(=O)OC
SMILES	OpenEye OEToolkits	2.0.7	Cc1nnc(s1)NC(=O)CNC2(CC(OC(C2)(C)C)(C)C)C(=O)OC

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PDB entries from 2026-02-11

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