HLG

N-{3-[(4-aminobutyl)amino]propyl}acetamide

Created:	2018-07-11
Last modified:	2019-07-10

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1 entries where HLG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	0

2D diagram of HLG

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Chemical Component Summary
Name	N-{3-[(4-aminobutyl)amino]propyl}acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-(4-azanylbutylamino)propyl]ethanamide
Formula	C₉ H₂₁ N₃ O
Molecular Weight	187.283
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(NCCCNCCCCN)=O
SMILES	CACTVS	3.385	CC(=O)NCCCNCCCCN
SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCCCNCCCCN
Canonical SMILES	CACTVS	3.385	CC(=O)NCCCNCCCCN
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC(=O)NCCCNCCCCN
InChI	InChI	1.03	InChI=1S/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)
InChIKey	InChI	1.03	MQTAVJHICJWXBR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	496
ChEMBL	CHEMBL176800
ChEBI	CHEBI:17927

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.