For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-[2-benzoylamino-3-(4-fluoro-phenyl)-acryloylamino]-4-methyl-pentanoic acid
SpectraBase Compound ID HbkaFSC9o00
InChI InChI=1S/C22H23FN2O4/c1-14(2)12-19(22(28)29)25-21(27)18(13-15-8-10-17(23)11-9-15)24-20(26)16-6-4-3-5-7-16/h3-11,13-14,19H,12H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/b18-13-
InChIKey HQBCXVGGIVSACI-AQTBWJFISA-N
Mol Weight 398.43 g/mol
Molecular Formula C22H23FN2O4
Exact Mass 398.164185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2qDXpje0vBd
Name 2-[2-benzoylamino-3-(4-fluoro-phenyl)-acryloylamino]-4-methyl-pentanoic acid
Alternate Name(s) 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)acryloyl]amino]-4-methyl-valeric acid 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methyl-pentanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23FN2O4
InChI InChI=1S/C22H23FN2O4/c1-14(2)12-19(22(28)29)25-21(27)18(13-15-8-10-17(23)11-9-15)24-20(26)16-6-4-3-5-7-16/h3-11,13-14,19H,12H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/b18-13-
InChIKey HQBCXVGGIVSACI-AQTBWJFISA-N
Molecular Weight 398.434 g/mol
SMILES N(C(c1ccccc1)=O)\C(C(NC(C(O)=O)CC(C)C)=O)=C/c1ccc(cc1)F
SPLASH splash10-0a4i-9700000000-59e08cf9b4e01f1f2774
Wiley ID 1446296