valine, N-[(2Z)-2-(benzoylamino)-3-(4-fluorophenyl)-1-oxo-2-propenyl]-

SpectraBase Compound ID	HveO86ixpwq
InChI	InChI=1S/C21H21FN2O4/c1-13(2)18(21(27)28)24-20(26)17(12-14-8-10-16(22)11-9-14)23-19(25)15-6-4-3-5-7-15/h3-13,18H,1-2H3,(H,23,25)(H,24,26)(H,27,28)/b17-12-
InChIKey	QKGRIBSRJBJWAO-ATVHPVEESA-N Google Search
Mol Weight	384.41 g/mol
Molecular Formula	C21H21FN2O4
Exact Mass	384.148535 g/mol

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SpectraBase Spectrum ID	Ii8eCe1PJoP
Name	2-[[(Z)-2-benzamido-3-(4-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid
Alternate Name(s)	2-[[(Z)-2-benzamido-3-(4-fluorophenyl)acryloyl]amino]-3-methyl-butyric acid 2-[[(Z)-2-benzamido-3-(4-fluorophenyl)prop-2-enoyl]amino]-3-methyl-butanoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H21FN2O4
InChI	InChI=1S/C21H21FN2O4/c1-13(2)18(21(27)28)24-20(26)17(12-14-8-10-16(22)11-9-14)23-19(25)15-6-4-3-5-7-15/h3-13,18H,1-2H3,(H,23,25)(H,24,26)(H,27,28)/b17-12-
InChIKey	QKGRIBSRJBJWAO-ATVHPVEESA-N
Molecular Weight	384.407 g/mol
SMILES	N(C(c1ccccc1)=O)\C(C(NC(C(O)=O)C(C)C)=O)=C/c1ccc(cc1)F
SPLASH	splash10-0a6r-9600000000-093114207f64ac37c06e
Wiley ID	1452120