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Summary Geometry Related PDB entries

NQ5

Summary

Name:	2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide
Formula:	C25 H33 N3 O8 S
Formal charge:	0
Formula weight:	535.61 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C25H33N3O8S/c1-31-5-6-37(29,30)27-23-8-18(10-26-25(23)32-2)17-7-19-12-33-16-22(19)24(9-17)36-15-21-11-28(3-4-35-21)20-13-34-14-20/h7-10,20-21,27H,3-6,11-16H2,1-2H3/t21-/m1/s1
InChIKey	InChI	1.03	ZWPJBXLFZFLGMV-OAQYLSRUSA-N
SMILES_CANONICAL	CACTVS	3.385	COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[C@H]4CN(CCO4)C5COC5)c2
SMILES	CACTVS	3.385	COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[CH]4CN(CCO4)C5COC5)c2
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4)C5COC5)COC3
SMILES	OpenEye OEToolkits	2.0.7	COCCS(=O)(=O)Nc1cc(cnc1OC)c2cc3c(c(c2)OCC4CN(CCO4)C5COC5)COC3

223532

PDB entries from 2024-08-07

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