YJ5

4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide

Created:	2023-02-06
Last modified:	2023-12-13

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1 entries where YJ5 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	6

2D diagram of YJ5

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Chemical Component Summary
Name	4-[(N-butylpentanamido)methyl]-N-hydroxybenzamide
Systematic Name (OpenEye OEToolkits)	4-[[butyl(pentanoyl)amino]methyl]-~{N}-oxidanyl-benzamide
Formula	C₁₇ H₂₆ N₂ O₃
Molecular Weight	306.4
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO
SMILES	CACTVS	3.385	CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)CCCC
SMILES	OpenEye OEToolkits	2.0.7	CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO
Canonical SMILES	CACTVS	3.385	CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)CCCC
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCC(=O)N(CCCC)Cc1ccc(cc1)C(=O)NO
InChI	InChI	1.06	InChI=1S/C17H26N2O3/c1-3-5-7-16(20)19(12-6-4-2)13-14-8-10-15(11-9-14)17(21)18-22/h8-11,22H,3-7,12-13H2,1-2H3,(H,18,21)
InChIKey	InChI	1.06	RUZXVBRXLWFADZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	169452194

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