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Summary Geometry Related PDB entries

LCM

Summary

Name:	N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
Synonyms:	4-LICAM
Formula:	C18 H20 N2 O6
Formal charge:	0
Formula weight:	360.361 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
OpenEye OEToolkits	1.7.6	N-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]-2,3-bis(oxidanyl)benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O
InChI	InChI	1.03	InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26)
InChIKey	InChI	1.03	FBRVRHJYPWFVCL-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.370	Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O)c2O)c1O
SMILES	CACTVS	3.370	Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O)c2O)c1O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O

223790

건을2024-08-14부터공개중

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