Methyl 2-(acetylamino)-3-[(3-oxocyclohexyl)sulfanyl]propanoate

SpectraBase Compound ID	JCSau0WaUlh
InChI	InChI=1S/C12H19NO4S/c1-8(14)13-11(12(16)17-2)7-18-10-5-3-4-9(15)6-10/h10-11H,3-7H2,1-2H3,(H,13,14)
InChIKey	HAJQVOCSOSYWPL-UHFFFAOYSA-N Google Search
Mol Weight	273.35 g/mol
Molecular Formula	C12H19NO4S
Exact Mass	273.103479 g/mol

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SpectraBase Spectrum ID	1gIrXSkaaG0
Name	Methyl 2-(acetylamino)-3-[(3-oxocyclohexyl)sulfanyl]propanoate
CAS Registry Number	77549-17-8
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C12H19NO4S
InChI	InChI=1S/C12H19NO4S/c1-8(14)13-11(12(16)17-2)7-18-10-5-3-4-9(15)6-10/h10-11H,3-7H2,1-2H3,(H,13,14)
InChIKey	HAJQVOCSOSYWPL-UHFFFAOYSA-N
Molecular Weight	273.347 g/mol
SMILES	N(C(CSC1CCCC(C1)=O)C(OC)=O)C(=O)C
SPLASH	splash10-0002-9310000000-49c349c67c59dd99ec6b
Source of Spectrum	W5-1989-34705-30831
Synonyms	2-Acetamido-3-[(3-ketocyclohexyl)thio]propionic acid methyl ester 2-Acetamido-3-[(3-oxocyclohexyl)thio]propanoic acid methyl ester Methyl 2-acetamido-3-(3-oxidanylidenecyclohexyl)sulfanyl-propanoate Methyl 2-acetamido-3-(3-oxocyclohexyl)sulfanyl-propanoate N-Acetyl-S-(3-oxocyclohexyl)-L-cysteine methyl ester
Wiley ID	1277032