Q7Y

7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one

Created:	2019-10-02
Last modified:	2019-12-04

Find Related PDB Entry
1 entries where Q7Y is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	0

2D diagram of Q7Y

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one
Systematic Name (OpenEye OEToolkits)	7-(3-azanylpropylamino)-1-sulfanyl-heptan-2-one
Formula	C₁₀ H₂₂ N₂ O S
Molecular Weight	218.359
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(CS)=O)CCCCNCCCN
SMILES	CACTVS	3.385	NCCCNCCCCCC(=O)CS
SMILES	OpenEye OEToolkits	2.0.7	C(CCC(=O)CS)CCNCCCN
Canonical SMILES	CACTVS	3.385	NCCCNCCCCCC(=O)CS
Canonical SMILES	OpenEye OEToolkits	2.0.7	C(CCC(=O)CS)CCNCCCN
InChI	InChI	1.03	InChI=1S/C10H22N2OS/c11-6-4-8-12-7-3-1-2-5-10(13)9-14/h12,14H,1-9,11H2
InChIKey	InChI	1.03	OOZNPNMKAJIVIZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	145704713

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.