9BI

4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide

Created:	2021-10-06
Last modified:	2022-10-05

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1 entries where 9BI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of 9BI

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Chemical Component Summary
Name	4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide
Systematic Name (OpenEye OEToolkits)	4-[methyl-(3-oxidanylidene-3-phenylazanyl-propyl)amino]-~{N}-oxidanyl-butanamide
Formula	C₁₄ H₂₁ N₃ O₃
Molecular Weight	279.335
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1ccccc1)CCN(C)CCCC(=O)NO
SMILES	CACTVS	3.385	CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1
Canonical SMILES	CACTVS	3.385	CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(CCCC(=O)NO)CCC(=O)Nc1ccccc1
InChI	InChI	1.03	InChI=1S/C14H21N3O3/c1-17(10-5-8-14(19)16-20)11-9-13(18)15-12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,18)(H,16,19)
InChIKey	InChI	1.03	XWKAYUOSXSESEL-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155124229

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.