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N-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]tryptophan
SpectraBase Compound ID Hq3E1Fd7goB
InChI InChI=1S/C17H16N4O4S/c1-21-15(23)11(14(22)20-17(21)26)8-19-13(16(24)25)6-9-7-18-12-5-3-2-4-10(9)12/h2-5,7-8,13,18-19H,6H2,1H3,(H,24,25)(H,20,22,26)/b11-8+
InChIKey QCMQWCNUTWQPTG-DHZHZOJOSA-N
Mol Weight 372.4 g/mol
Molecular Formula C17H16N4O4S
Exact Mass 372.089226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IdHmSdgs6S6
Name N-[(E)-(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]tryptophan
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H16N4O4S/c1-21-15(23)11(14(22)20-17(21)26)8-19-13(16(24)25)6-9-7-18-12-5-3-2-4-10(9)12/h2-5,7-8,13,18-19H,6H2,1H3,(H,24,25)(H,20,22,26)/b11-8+
InChIKey QCMQWCNUTWQPTG-DHZHZOJOSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8993
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D40152; Labnumber: KKA-0211-2229; SBI_ID: SBI-008996
Synonyms N-[(1-methyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]tryptophan
Temperature 306 °C