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4-Amino-5-{carboxy[2-(1H-indol-3-yl)ethyl]amino}-5-oxopentanoic acid

View entire compound with spectra: 1 NMR

4-Amino-5-{carboxy[2-(1H-indol-3-yl)ethyl]amino}-5-oxopentanoic acid
SpectraBase Compound ID LLwuvNNmwW
InChI InChI=1S/C16H19N3O5/c17-12(5-6-14(20)21)15(22)19(16(23)24)8-7-10-9-18-13-4-2-1-3-11(10)13/h1-4,9,12,18H,5-8,17H2,(H,20,21)(H,23,24)
InChIKey XSUXGXLDFULGAA-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 CnE86UdkZR
Name 4-Amino-5-{carboxy[2-(1H-indol-3-yl)ethyl]amino}-5-oxopentanoic acid
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/c17-12(5-6-14(20)21)15(22)19(16(23)24)8-7-10-9-18-13-4-2-1-3-11(10)13/h1-4,9,12,18H,5-8,17H2,(H,20,21)(H,23,24)
InChIKey XSUXGXLDFULGAA-UHFFFAOYSA-N
Molecular Weight 333.344 g/mol
SMILES C(C(N(CCC1=CNC=2C1=CC=CC2)C(O)=O)=O)(CCC(O)=O)N