Methyl 2-[(3-methoxy-3-oxopropanoyl)amino]-3-[({4-[(trifluoromethyl)thio]anilino}carbonyl)thio]propanoate

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Systematic / IUPAC Name: Methyl N-(3-methoxy-3-oxopropanoyl)-S-({4-[(trifluoromethyl)sulfanyl]phenyl}carbamoyl)cysteinate

ID: Reference4563

Other Names: Cysteine, N-(3-methoxy-1,3-dioxopropyl)-S-({[4-[(trifluoromethyl)thio]phenyl]amino}carbonyl), methyl ester

Formula: C16H17F3N2O6S2

Spectral Data

Methyl 2-[(3-methoxy-3-oxopropanoyl)amino]-3-[({4-[(trifluoromethyl)thio]anilino}carbonyl)thio]propanoate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/14/2016 1:33:18 PM
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Identificators

InChI InChI=1S/C16H17F3N2O6S2/c1-26-13(23)7-12(22)21-11(14(24)27-2)8-28-15(25)20-9-3-5-10(6-4-9)29-16(17,18)19/h3-6,11H,7-8H2,1-2H3,(H,20,25)(H,21,22)
InChI Key BFIAMKHAVYFAQO-UHFFFAOYSA-N
Canonical SMILES COC(=O)CC(=O)NC(CSC(=O)NC1=CC=C(C=C1)SC(F)(F)F)C(=O)OC
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Other Names Cysteine, N-(3-methoxy-1,3-dioxopropyl)-S-({[4-[(trifluoromethyl)thio]phenyl]amino}carbonyl), methyl ester

In Other Databases

ChemSpider 2100330
PubChem 2822110