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2-Benzothiazolylthioacetyl L-tyrosine methyl ester
SpectraBase Compound ID EXGBSvvS67m
InChI InChI=1S/C19H18N2O4S2/c1-25-18(24)15(10-12-6-8-13(22)9-7-12)20-17(23)11-26-19-21-14-4-2-3-5-16(14)27-19/h2-9,15,22H,10-11H2,1H3,(H,20,23)/t15-/m0/s1
InChIKey YPJIUBXOSVHURY-HNNXBMFYSA-N
Mol Weight 402.48 g/mol
Molecular Formula C19H18N2O4S2
Exact Mass 402.070799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31JPs4e288
Name 2-Benzothiazolylthioacetyl L-tyrosine methyl ester
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2O4S2
InChI InChI=1S/C19H18N2O4S2/c1-25-18(24)15(10-12-6-8-13(22)9-7-12)20-17(23)11-26-19-21-14-4-2-3-5-16(14)27-19/h2-9,15,22H,10-11H2,1H3,(H,20,23)/t15-/m0/s1
InChIKey YPJIUBXOSVHURY-HNNXBMFYSA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 402.483 g/mol
SMILES N(C(CSc1sc2ccccc2n1)=O)[C@@](Cc1ccc(cc1)O)(C(OC)=O)[H]
SPLASH splash10-0a4i-0960000000-5508f79399274a7d8904
Source of Spectrum ARK-2011-344-2a
Thin-Layer Chromatography Rf = 0.27 (Chloroform/Methanol, 95:5)
Wiley ID 1864518