XS6

6-[(3-aminopropyl)amino]-N-hydroxyhexanamide

Created:	2015-05-19
Last modified:	2015-07-29

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3 entries where XS6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	0

2D diagram of XS6

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Chemical Component Summary
Name	6-[(3-aminopropyl)amino]-N-hydroxyhexanamide
Systematic Name (OpenEye OEToolkits)	6-(3-azanylpropylamino)-N-oxidanyl-hexanamide
Formula	C₉ H₂₁ N₃ O₂
Molecular Weight	203.282
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(CCNCCCCCC(NO)=O)N
SMILES	CACTVS	3.385	NCCCNCCCCCC(=O)NO
SMILES	OpenEye OEToolkits	1.9.2	C(CCC(=O)NO)CCNCCCN
Canonical SMILES	CACTVS	3.385	NCCCNCCCCCC(=O)NO
Canonical SMILES	OpenEye OEToolkits	1.9.2	C(CCC(=O)NO)CCNCCCN
InChI	InChI	1.03	InChI=1S/C9H21N3O2/c10-6-4-8-11-7-3-1-2-5-9(13)12-14/h11,14H,1-8,10H2,(H,12,13)
InChIKey	InChI	1.03	BREASWSBOVLQOH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	44317919
ChEMBL	CHEMBL77840

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.