LCM

N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)

Created:	2013-01-22
Last modified:	2021-03-01

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1 entries where LCM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	12

2D diagram of LCM

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Chemical Component Summary
Name	N,N'-butane-1,4-diylbis(2,3-dihydroxybenzamide)
Synonyms	4-LICAM
Systematic Name (OpenEye OEToolkits)	N-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]-2,3-bis(oxidanyl)benzamide
Formula	C₁₈ H₂₀ N₂ O₆
Molecular Weight	360.361
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O
SMILES	CACTVS	3.370	Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O)c2O)c1O
SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O
Canonical SMILES	CACTVS	3.370	Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O)c2O)c1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O
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

Related Resource References

Resource Name	Reference
PubChem	10338559
ChEMBL	CHEMBL3409788

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