UFS

N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide

Created:	2020-05-14
Last modified:	2020-09-02

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1 entries where UFS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	66
Chiral Atom Count	0
Bond Count	67
Aromatic Bond Count	12

2D diagram of UFS

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Chemical Component Summary
Name	N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide
Systematic Name (OpenEye OEToolkits)	~{N}-[4-[4-(hex-5-ynoylamino)phenyl]carbonylphenyl]-~{N}'-oxidanyl-octanediamide
Formula	C₂₇ H₃₁ N₃ O₅
Molecular Weight	477.552
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cc(NC(CCCCCCC(NO)=O)=O)ccc1C(c2ccc(cc2)NC(CCCC#C)=O)=O
SMILES	CACTVS	3.385	ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(NC(=O)CCCC#C)cc2
SMILES	OpenEye OEToolkits	2.0.7	C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO
Canonical SMILES	CACTVS	3.385	ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(NC(=O)CCCC#C)cc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO
InChI	InChI	1.03	InChI=1S/C27H31N3O5/c1-2-3-6-9-24(31)28-22-16-12-20(13-17-22)27(34)21-14-18-23(19-15-21)29-25(32)10-7-4-5-8-11-26(33)30-35/h1,12-19,35H,3-11H2,(H,28,31)(H,29,32)(H,30,33)
InChIKey	InChI	1.03	VHTATGLVGGHVIS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	90276494

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