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Summary Geometry Related PDB entries

EVY

Summary

Name:	(2S)-2-hexyl-N-[(3S)-2-oxooxolan-3-yl]decanamide
Formula:	C20 H37 N O3
Formal charge:	0
Formula weight:	339.513 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-2-hexyl-N-[(3S)-2-oxooxolan-3-yl]decanamide
OpenEye OEToolkits	2.0.6	(2~{S})-2-hexyl-~{N}-[(3~{S})-2-oxidanylideneoxolan-3-yl]decanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCCCCCCCC(CCCCCC)C(=O)NC1C(OCC1)=O
InChI	InChI	1.03	InChI=1S/C20H37NO3/c1-3-5-7-9-10-12-14-17(13-11-8-6-4-2)19(22)21-18-15-16-24-20(18)23/h17-18H,3-16H2,1-2H3,(H,21,22)/t17-,18-/m0/s1
InChIKey	InChI	1.03	XGYNUFAUHRHVSH-ROUUACIJSA-N
SMILES_CANONICAL	CACTVS	3.385	CCCCCCCC[C@H](CCCCCC)C(=O)N[C@H]1CCOC1=O
SMILES	CACTVS	3.385	CCCCCCCC[CH](CCCCCC)C(=O)N[CH]1CCOC1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.6	CCCCCCCC[C@H](CCCCCC)C(=O)N[C@H]1CCOC1=O
SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCCC(CCCCCC)C(=O)NC1CCOC1=O

226707

数据于2024-10-30公开中

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