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(2S)-2-[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid

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(2S)-2-[2-(2-keto-4-phenyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid
SpectraBase Compound ID AccowJiComs
InChI InChI=1S/C23H23NO6/c1-13(2)21(23(27)28)24-22(26)14(3)29-16-9-10-17-18(15-7-5-4-6-8-15)12-20(25)30-19(17)11-16/h4-14,21H,1-3H3,(H,24,26)(H,27,28)/t14?,21-/m0/s1
InChIKey DFGVBCRALAMJNR-YNNZGITBSA-N
Mol Weight 409.44 g/mol
Molecular Formula C23H23NO6
Exact Mass 409.152537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ElhoNfgXPJp
Name (2S)-2-[2-(2-Keto-4-phenyl-chromen-7-yl)oxypropanoylamino]-3-methyl-butyric acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.152537459 u
Formula C23H23NO6
InChI InChI=1S/C23H23NO6/c1-13(2)21(23(27)28)24-22(26)14(3)29-16-9-10-17-18(15-7-5-4-6-8-15)12-20(25)30-19(17)11-16/h4-14,21H,1-3H3,(H,24,26)(H,27,28)/t14?,21-/m0/s1
InChIKey DFGVBCRALAMJNR-YNNZGITBSA-N
Molecular Weight 409.438 g/mol
SMILES C=1(C2=C(C=C(OC(C(N[C@](C(=O)O)(C(C)C)[H])=O)C)C=C2)OC(C1)=O)C1=CC=CC=C1