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2-Benzothiazolylthioacetyl L-methionyl L-serine methyl ester
SpectraBase Compound ID 9VtBnak8RZh
InChI InChI=1S/C18H23N3O5S3/c1-26-17(25)13(9-22)20-16(24)12(7-8-27-2)19-15(23)10-28-18-21-11-5-3-4-6-14(11)29-18/h3-6,12-13,22H,7-10H2,1-2H3,(H,19,23)(H,20,24)/t12-,13-/m0/s1
InChIKey FILIPCNYBRIQPK-STQMWFEESA-N
Mol Weight 457.58 g/mol
Molecular Formula C18H23N3O5S3
Exact Mass 457.079984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Zdvyb9xyRk
Name 2-Benzothiazolylthioacetyl L-methionyl L-serine methyl ester
Appearance Colorless crystals
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Formula C18H23N3O5S3
InChI InChI=1S/C18H23N3O5S3/c1-26-17(25)13(9-22)20-16(24)12(7-8-27-2)19-15(23)10-28-18-21-11-5-3-4-6-14(11)29-18/h3-6,12-13,22H,7-10H2,1-2H3,(H,19,23)(H,20,24)/t12-,13-/m0/s1
InChIKey FILIPCNYBRIQPK-STQMWFEESA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 457.578 g/mol
SMILES N(C(CSc1nc2c(cccc2)s1)=O)[C@](C(N[C@@](CO)(C(OC)=O)[H])=O)(CCSC)[H]
SPLASH splash10-05o0-0930000000-2132c02dc3c114e5aad0
Source of Spectrum ARK-2011-347-6b
Thin-Layer Chromatography Rf = 0.28 (Chloroform/Methanol, 95:5)
Wiley ID 1864527