L4D

{(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+)

Created:	2012-12-13
Last modified:	2021-03-13

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1 entries where L4D is found as a standalone ligand

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Chemical Details
Formal Charge	2
Atom Count	45
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	12

2D diagram of L4D

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Chemical Component Summary
Name	{(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+)
Synonyms	{N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl}iron(2+)
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₇ H₂₁ Fe N₄ O₂
Molecular Weight	369.219
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C5O[Fe+2]346n1ccccc1CN6(CCN4(Cc2ccccn23)C)C5
SMILES	CACTVS	3.370	CN12\|[Fe++]\|3\|4(OC(=O)CN\|3(CC1)Cc5ccccn\|45)\|n6ccccc6C2
SMILES	OpenEye OEToolkits	1.7.6	C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)([N]6=CC=CC=C6C3)OC(=O)C4
Canonical SMILES	CACTVS	3.370	CN12\|[Fe++]\|3\|4(OC(=O)CN\|3(CC1)Cc5ccccn\|45)\|n6ccccc6C2
Canonical SMILES	OpenEye OEToolkits	1.7.6	C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)([N]6=CC=CC=C6C3)OC(=O)C4
InChI	InChI	1.03	InChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16;/h2-9H,10-14H2,1H3,(H,22,23);/q;+3/p-1
InChIKey	InChI	1.03	KEGLXUIHTNIIAB-UHFFFAOYSA-M

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