A1ASB

(1Z)-N-hydroxy-2-methylpropanimidamide

Created:	2024-05-15
Last modified:	2024-05-29

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1 entries where A1ASB is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of A1ASB

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Chemical Component Summary
Name	(1Z)-N-hydroxy-2-methylpropanimidamide
Systematic Name (OpenEye OEToolkits)	2-methyl-~{N}-oxidanyl-propanimidamide
Formula	C₄ H₁₀ N₂ O
Molecular Weight	102.135
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)C(=N)NO
SMILES	CACTVS	3.385	CC(C)C(=N)NO
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C(=N)NO
Canonical SMILES	CACTVS	3.385	CC(C)C(=N)NO
Canonical SMILES	OpenEye OEToolkits	2.0.7	[H]/N=C(/C(C)C)\NO
InChI	InChI	1.06	InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6)
InChIKey	InChI	1.06	JHRDEHLFNLLCQS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	9582835, 5712089, 2794833

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.