LB6

N-[(6-bromo-1H-indol-1-yl)acetyl]glycine

Created:	2021-04-05
Last modified:	2021-06-23

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3 entries where LB6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	10

2D diagram of LB6

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Chemical Component Summary
Name	N-[(6-bromo-1H-indol-1-yl)acetyl]glycine
Systematic Name (OpenEye OEToolkits)	2-[2-(6-bromanylindol-1-yl)ethanoylamino]ethanoic acid
Formula	C₁₂ H₁₁ Br N₂ O₃
Molecular Weight	311.131
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CNC(=O)Cn1ccc2ccc(Br)cc21
SMILES	CACTVS	3.385	OC(=O)CNC(=O)Cn1ccc2ccc(Br)cc12
SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br
Canonical SMILES	CACTVS	3.385	OC(=O)CNC(=O)Cn1ccc2ccc(Br)cc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(cc2c1ccn2CC(=O)NCC(=O)O)Br
InChI	InChI	1.03	InChI=1S/C12H11BrN2O3/c13-9-2-1-8-3-4-15(10(8)5-9)7-11(16)14-6-12(17)18/h1-5H,6-7H2,(H,14,16)(H,17,18)
InChIKey	InChI	1.03	CWLHYPMSORHOPU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	29131252

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