A1CT4

N-[(1R)-1-(1,3-benzothiazol-5-yl)-2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide

Created:	2025-09-18
Last modified:	2026-01-28

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1 entries where A1CT4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	1
Bond Count	42
Aromatic Bond Count	10

2D diagram of A1CT4

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Chemical Component Summary
Name	N-[(1R)-1-(1,3-benzothiazol-5-yl)-2-(hydroxyamino)-2-oxoethyl]-3,3-dimethylbutanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{R})-1-(1,3-benzothiazol-5-yl)-2-(oxidanylamino)-2-oxidanylidene-ethyl]-3,3-dimethyl-butanamide
Formula	C₁₅ H₁₉ N₃ O₃ S
Molecular Weight	321.395
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC(C)(C)CC(=O)NC(c1cc2ncsc2cc1)C(=O)NO
SMILES	CACTVS	3.385	CC(C)(C)CC(=O)N[CH](C(=O)NO)c1ccc2scnc2c1
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)(C)CC(=O)NC(c1ccc2c(c1)ncs2)C(=O)NO
Canonical SMILES	CACTVS	3.385	CC(C)(C)CC(=O)N[C@@H](C(=O)NO)c1ccc2scnc2c1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)(C)CC(=O)N[C@H](c1ccc2c(c1)ncs2)C(=O)NO
InChI	InChI	1.06	InChI=1S/C15H19N3O3S/c1-15(2,3)7-12(19)17-13(14(20)18-21)9-4-5-11-10(6-9)16-8-22-11/h4-6,8,13,21H,7H2,1-3H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKey	InChI	1.06	BJEPPCMNJNEPNQ-CYBMUJFWSA-N

Related Resource References

Resource Name	Reference
PubChem	177858770

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