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Summary Geometry Related PDB entries

D08

Summary

Name:	2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide
Formula:	C21 H30 N2 O6
Formal charge:	0
Formula weight:	406.473 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.6	2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C21H30N2O6/c1-27-19-7-6-15(12-20(19)28-16-4-2-3-5-16)18-13-17(29-22-18)14-21(26)23(8-10-24)9-11-25/h6-7,12,16-17,24-25H,2-5,8-11,13-14H2,1H3/t17-/m1/s1
InChIKey	InChI	1.03	VUQABPCUWUTWEU-QGZVFWFLSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc(cc1OC2CCCC2)C3=NO[C@@H](CC(=O)N(CCO)CCO)C3
SMILES	CACTVS	3.385	COc1ccc(cc1OC2CCCC2)C3=NO[CH](CC(=O)N(CCO)CCO)C3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	COc1ccc(cc1OC2CCCC2)C3=NO[C@H](C3)CC(=O)N(CCO)CCO
SMILES	OpenEye OEToolkits	2.0.6	COc1ccc(cc1OC2CCCC2)C3=NOC(C3)CC(=O)N(CCO)CCO

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