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2-Benzothiazolylthioacetyl DL-threonyl L-methionine methyl ester
SpectraBase Compound ID 6HyeYBlw58G
InChI InChI=1S/C19H25N3O5S3/c1-11(23)16(17(25)20-13(8-9-28-3)18(26)27-2)22-15(24)10-29-19-21-12-6-4-5-7-14(12)30-19/h4-7,11,13,16,23H,8-10H2,1-3H3,(H,20,25)(H,22,24)/t11?,13-,16?/m0/s1
InChIKey PIQKYPUJEHVSST-ULKWEWGCSA-N
Mol Weight 471.61 g/mol
Molecular Formula C19H25N3O5S3
Exact Mass 471.095634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MdumIYMTI
Name 2-Benzothiazolylthioacetyl DL-threonyl L-methionine methyl ester
Appearance Colorless crystals
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Formula C19H25N3O5S3
InChI InChI=1S/C19H25N3O5S3/c1-11(23)16(17(25)20-13(8-9-28-3)18(26)27-2)22-15(24)10-29-19-21-12-6-4-5-7-14(12)30-19/h4-7,11,13,16,23H,8-10H2,1-3H3,(H,20,25)(H,22,24)/t11?,13-,16?/m0/s1
InChIKey PIQKYPUJEHVSST-ULKWEWGCSA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 471.605 g/mol
SMILES N(C(CSc1nc2c(cccc2)s1)=O)C(C(O)C)C(N[C@](C(OC)=O)(CCSC)[H])=O
SPLASH splash10-0ar0-0891000000-f8c10f184e54edfa4a5f
Source of Spectrum ARK-2011-348-6g
Thin-Layer Chromatography Rf = 0.58 (Chloroform/Methanol, 95:5)
Wiley ID 1864532