A1CTH

N-[(1R)-2-(hydroxyamino)-2-oxo-1-(quinolin-7-yl)ethyl]-3,3-dimethylbutanamide

Created:	2025-09-15
Last modified:	2026-01-28

Find Related PDB Entry
2 entries where A1CTH is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	45
Aromatic Bond Count	11

2D diagram of A1CTH

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-[(1R)-2-(hydroxyamino)-2-oxo-1-(quinolin-7-yl)ethyl]-3,3-dimethylbutanamide
Systematic Name (OpenEye OEToolkits)	3,3-dimethyl-~{N}-[(1~{R})-2-(oxidanylamino)-2-oxidanylidene-1-quinolin-7-yl-ethyl]butanamide
Formula	C₁₇ H₂₁ N₃ O₃
Molecular Weight	315.367
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC(C)(C)CC(=O)NC(c1cc2ncccc2cc1)C(=O)NO
SMILES	CACTVS	3.385	CC(C)(C)CC(=O)N[CH](C(=O)NO)c1ccc2cccnc2c1
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)(C)CC(=O)NC(c1ccc2cccnc2c1)C(=O)NO
Canonical SMILES	CACTVS	3.385	CC(C)(C)CC(=O)N[C@@H](C(=O)NO)c1ccc2cccnc2c1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)(C)CC(=O)N[C@H](c1ccc2cccnc2c1)C(=O)NO
InChI	InChI	1.06	InChI=1S/C17H21N3O3/c1-17(2,3)10-14(21)19-15(16(22)20-23)12-7-6-11-5-4-8-18-13(11)9-12/h4-9,15,23H,10H2,1-3H3,(H,19,21)(H,20,22)/t15-/m1/s1
InChIKey	InChI	1.06	SILKEJUPGUNUGQ-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	177858769

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.