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butanoic acid, 2-[[(2S)-2-(1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl)-1-oxopropyl]amino]-3-methyl-, (2S)-
SpectraBase Compound ID BCfke8cEA3T
InChI InChI=1S/C16H19N3O5/c1-8(2)12(15(22)23)18-13(20)9(3)19-14(21)10-6-4-5-7-11(10)17-16(19)24/h4-9,12H,1-3H3,(H,17,24)(H,18,20)(H,22,23)
InChIKey HIMYAJTYIBOJJY-UHFFFAOYSA-N
Mol Weight 333.34 g/mol
Molecular Formula C16H19N3O5
Exact Mass 333.132471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2rU2FTSI0Y
Name Butanoic acid, 2-[[(2S)-2-(1,4-dihydro-2,4-dioxo-3(2H)-quinazolinyl)-1-oxopropyl]amino]-3-methyl-, (2S)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.132470719 u
Formula C16H19N3O5
InChI InChI=1S/C16H19N3O5/c1-8(2)12(15(22)23)18-13(20)9(3)19-14(21)10-6-4-5-7-11(10)17-16(19)24/h4-9,12H,1-3H3,(H,17,24)(H,18,20)(H,22,23)
InChIKey HIMYAJTYIBOJJY-UHFFFAOYSA-N
SMILES N1C=2C(C(N(C(C(NC(C(=O)O)C(C)C)=O)C)C1=O)=O)=CC=CC2