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2-Benzothiazolylthioacetyl L-tyrosyl L-methionine methyl ester
SpectraBase Compound ID 6IjDHAH7Bz1
InChI InChI=1S/C24H27N3O5S3/c1-32-23(31)18(11-12-33-2)26-22(30)19(13-15-7-9-16(28)10-8-15)25-21(29)14-34-24-27-17-5-3-4-6-20(17)35-24/h3-10,18-19,28H,11-14H2,1-2H3,(H,25,29)(H,26,30)/t18-,19-/m0/s1
InChIKey FVYLPXFZVCSISN-OALUTQOASA-N
Mol Weight 533.68 g/mol
Molecular Formula C24H27N3O5S3
Exact Mass 533.111284 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HwUP9Zb4NzK
Name 2-Benzothiazolylthioacetyl L-tyrosyl L-methionine methyl ester
Appearance Colorless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27N3O5S3
InChI InChI=1S/C24H27N3O5S3/c1-32-23(31)18(11-12-33-2)26-22(30)19(13-15-7-9-16(28)10-8-15)25-21(29)14-34-24-27-17-5-3-4-6-20(17)35-24/h3-10,18-19,28H,11-14H2,1-2H3,(H,25,29)(H,26,30)/t18-,19-/m0/s1
InChIKey FVYLPXFZVCSISN-OALUTQOASA-N
Instrument Name Shimadzu GC-MSQP 1000EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0012.925
Molecular Weight 533.676 g/mol
SMILES N(C(CSc1nc2c(cccc2)s1)=O)[C@@](Cc1ccc(cc1)O)(C(N[C@](C(OC)=O)(CCSC)[H])=O)[H]
SPLASH splash10-0a4i-0890000000-dda7c955ce4f8df3588f
Source of Spectrum ARK-2011-347-6e
Thin-Layer Chromatography Rf = 0.12 (Chloroform/Methanol, 95:5)
Wiley ID 1864530