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2-Benzothiazolylthioacetyl L-serinyl L-serine methyl ester
SpectraBase Compound ID DDpkwvvkrai
InChI InChI=1S/C16H19N3O6S2/c1-25-15(24)11(7-21)18-14(23)10(6-20)17-13(22)8-26-16-19-9-4-2-3-5-12(9)27-16/h2-5,10-11,20-21H,6-8H2,1H3,(H,17,22)(H,18,23)/t10-,11-/m0/s1
InChIKey OVRCEHTYFIHRLG-QWRGUYRKSA-N
Mol Weight 413.46 g/mol
Molecular Formula C16H19N3O6S2
Exact Mass 413.071528 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 90GMLJZ6UAI
Name 2-Benzothiazolylthioacetyl L-serinyl L-serine methyl ester
Appearance Colorless crystals
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Formula C16H19N3O6S2
InChI InChI=1S/C16H19N3O6S2/c1-25-15(24)11(7-21)18-14(23)10(6-20)17-13(22)8-26-16-19-9-4-2-3-5-12(9)27-16/h2-5,10-11,20-21H,6-8H2,1H3,(H,17,22)(H,18,23)/t10-,11-/m0/s1
InChIKey OVRCEHTYFIHRLG-QWRGUYRKSA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 413.463 g/mol
SMILES N(C(CSc1nc2c(cccc2)s1)=O)[C@@](CO)(C(N[C@@](CO)(C(OC)=O)[H])=O)[H]
SPLASH splash10-067i-0930000000-7c69b48bd56bde1d1b85
Source of Spectrum ARK-2011-347-6d
Thin-Layer Chromatography Rf = 0.23 (Chloroform/Methanol, 95:5)
Wiley ID 1864529