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Summary Geometry Related PDB entries

5LC

Summary

Name:	N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
Formula:	C19 H22 N2 O6
Formal charge:	0
Formula weight:	374.388 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N'-pentane-1,5-diylbis(2,3-dihydroxybenzamide)
OpenEye OEToolkits	1.7.6	N-[5-[[2,3-bis(oxidanyl)phenyl]carbonylamino]pentyl]-2,3-bis(oxidanyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cccc(O)c1O)NCCCCCNC(=O)c2cccc(O)c2O
InChI	InChI	1.03	InChI=1S/C19H22N2O6/c22-14-8-4-6-12(16(14)24)18(26)20-10-2-1-3-11-21-19(27)13-7-5-9-15(23)17(13)25/h4-9,22-25H,1-3,10-11H2,(H,20,26)(H,21,27)
InChIKey	InChI	1.03	BRWLZTCRFJVZDD-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Oc1cccc(C(=O)NCCCCCNC(=O)c2cccc(O)c2O)c1O
SMILES	CACTVS	3.385	Oc1cccc(C(=O)NCCCCCNC(=O)c2cccc(O)c2O)c1O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCCNC(=O)c2cccc(c2O)O

247947

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