D,L-1,3-dioxo-α-[2-(methylthio)ethyl]-2-isoindolineacetic acid

SpectraBase Compound ID	1QfJnhLMWSK
InChI	InChI=1S/C13H13NO4S/c1-19-7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)
InChIKey	VMTKJVHNTIEOCU-UHFFFAOYSA-N Google Search
Mol Weight	279.31 g/mol
Molecular Formula	C13H13NO4S
Exact Mass	279.056529 g/mol

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SpectraBase Spectrum ID	L6UZTDtH4xC
Name	2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-(methylsulfanyl)butanoic acid
Alternate Name(s)	2H-Isoindole-2-acetic acid, 1,3-dihydro-.alpha.-[2-(methylthio)ethyl]-1,3-dioxo-, (.+-.)- 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoic acid 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoic acid 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoic acid 2H-Isoindole-2-acetic acid, 1,3-dihydro-.alpha.-[2-(methylthio)ethyl]-1,3-dioxo-, (.+/-.)- 4-(methylthio)-2-phthalimido-butyric acid N-Phthalyl-DL-methionine
CAS Registry Number	52881-96-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H13NO4S
InChI	InChI=1S/C13H13NO4S/c1-19-7-6-10(13(17)18)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-5,10H,6-7H2,1H3,(H,17,18)
InChIKey	VMTKJVHNTIEOCU-UHFFFAOYSA-N
Molecular Weight	279.310 g/mol
SMILES	OC(C(N1C(c2ccccc2C1=O)=O)CCSC)=O
SPLASH	splash10-0a4r-0980000000-8e0a352073705a6d8381
Source of Spectrum	QC-10-2837-1
Wiley ID	871559