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 |