SP5

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

Created:	2008-03-31
Last modified:	2020-06-05

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5 entries where SP5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	0

2D diagram of SP5

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Chemical Component Summary
Name	N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
Synonyms	N1-AcSpermine
Systematic Name (OpenEye OEToolkits)	N-[3-[4-(3-aminopropylamino)butylamino]propyl]ethanamide
Formula	C₁₂ H₂₈ N₄ O
Molecular Weight	244.377
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NCCCNCCCCNCCCN)C
SMILES	CACTVS	3.341	CC(=O)NCCCNCCCCNCCCN
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NCCCNCCCCNCCCN
Canonical SMILES	CACTVS	3.341	CC(=O)NCCCNCCCCNCCCN
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NCCCNCCCCNCCCN
InChI	InChI	1.03	InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChIKey	InChI	1.03	GUNURVWAJRRUAV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	916
ChEMBL	CHEMBL131004
ChEBI	CHEBI:17312

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.