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N-{4'-[(4"-Nitrocinnamoyl)amino]benzoyl}-methionine
SpectraBase Compound ID HnqTF1Bi8FV
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+
InChIKey VQYQFQVRTZRVHO-NYYWCZLTSA-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 G69rtIr6KXH
Name N-{4'-[(4"-Nitrocinnamoyl)amino]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+
InChIKey VQYQFQVRTZRVHO-NYYWCZLTSA-N
Molecular Weight 443.474 g/mol
SMILES N(C(\C=C\c1ccc(N(=O)=O)cc1)=O)c1ccc(C(NC(C(=O)O)CCSC)=O)cc1
SPLASH splash10-004i-0902000000-684b9914f65bee920ce8
Source of Spectrum D9-335-141-10
Synonyms Methyl-N-(4-{[(2E)-3-(4-nitrophenyl)-2-propenoyl]amino}benzoyl)homocysteine
Wiley ID 1550941