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N-[4-(4-Nitrocinnamoylamino)benzoyl]methionine
SpectraBase Compound ID EZoNuwheAOA
InChI InChI=1S/C21H21N3O6S/c1-31-13-12-18(21(27)28)23-20(26)15-5-7-16(8-6-15)22-19(25)11-4-14-2-9-17(10-3-14)24(29)30/h2-11,18H,12-13H2,1H3,(H,22,25)(H,23,26)(H,27,28)/b11-4+/t18-/m0/s1
InChIKey VQYQFQVRTZRVHO-BIPIYRQYSA-N
Mol Weight 443.47 g/mol
Molecular Formula C21H21N3O6S
Exact Mass 443.115107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8qSqr4RjIhO
Name N-[4-(4-Nitrocinnamoylamino)benzoyl]methionine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21N3O6S
InChI InChI=1S/C21H21N3O6S/c1-31-13-12-18(21(27)28)23-20(26)15-5-7-16(8-6-15)22-19(25)11-4-14-2-9-17(10-3-14)24(29)30/h2-11,18H,12-13H2,1H3,(H,22,25)(H,23,26)(H,27,28)/b11-4+/t18-/m0/s1
InChIKey VQYQFQVRTZRVHO-BIPIYRQYSA-N
Molecular Weight 443.474 g/mol
SMILES N([C@](C(=O)O)(CCSC)[H])C(c1ccc(cc1)NC(\C=C\c1ccc(cc1)[N+](=O)[O-])=O)=O
SPLASH splash10-004i-0902000000-684b9914f65bee920ce8
Source of Spectrum APP-335-141-10c
Synonyms (S,E)-4-(methylthio)-2-(4-(3-(4-nitrophenyl)acrylamido)benzamido)butanoic acid (2S)-4-(methylthio)-2-[[[4-[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]phenyl]-oxomethyl]amino]butanoic acid (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoyl]amino]butanoic acid (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]phenyl]carbonylamino]butanoic acid
Wiley ID 1770591