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N-4-FLUOROPHENYLUREIDO-N-2-NITROBENZYL-L-ALANINE
SpectraBase Compound ID 8MKZdmTxT0y
InChI InChI=1S/C17H16FN3O5/c1-11(16(22)23)20(10-12-4-2-3-5-15(12)21(25)26)17(24)19-14-8-6-13(18)7-9-14/h2-9,11H,10H2,1H3,(H,19,24)(H,22,23)
InChIKey SOUDBMPGSXOWTG-UHFFFAOYSA-N
Mol Weight 361.33 g/mol
Molecular Formula C17H16FN3O5
Exact Mass 361.107399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 485Rh2HsYZV
Name N-4-FLUOROPHENYLUREIDO-N-2-NITROBENZYL-L-ALANINE
Compound Number E-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H16FN3O5
InChI InChI=1S/C17H16FN3O5/c1-11(16(22)23)20(10-12-4-2-3-5-15(12)21(25)26)17(24)19-14-8-6-13(18)7-9-14/h2-9,11H,10H2,1H3,(H,19,24)(H,22,23)
InChIKey SOUDBMPGSXOWTG-UHFFFAOYSA-N
Literature Reference Author B.W.CLARE,A.SCOZZAFAVA,C.T.SUPURAN
Literature Reference Citation J.MED.CHEM.,44,2253(2001)
Literature Reference DOI 10.1021/jm010087e
Molecular Weight 361.330 g/mol
Sample ID 44604
Solvent DMSO-D6