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2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-3-(1H-indol-3-yl)-propionic acid

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2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-3-(1H-indol-3-yl)-propionic acid
SpectraBase Compound ID 8ghutw3Hmvp
InChI InChI=1S/C18H18N2O4/c1-10-7-14(11(2)24-10)17(21)20-16(18(22)23)8-12-9-19-15-6-4-3-5-13(12)15/h3-7,9,16,19H,8H2,1-2H3,(H,20,21)(H,22,23)
InChIKey HPDUKLAIVGLGIH-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C18H18N2O4
Exact Mass 326.126657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RTZSj6Svmx
Name 2-[(2,5-Dimethyl-furan-3-carbonyl)-amino]-3-(1H-indol-3-yl)-propionic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.126657064 u
Formula C18H18N2O4
InChI InChI=1S/C18H18N2O4/c1-10-7-14(11(2)24-10)17(21)20-16(18(22)23)8-12-9-19-15-6-4-3-5-13(12)15/h3-7,9,16,19H,8H2,1-2H3,(H,20,21)(H,22,23)
InChIKey HPDUKLAIVGLGIH-UHFFFAOYSA-N
Molecular Weight 326.352 g/mol
SMILES C1(C(NC(CC2=CNC=3C2=CC=CC3)C(=O)O)=O)=C(OC(=C1)C)C