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benzyl (1S)-2-{[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino}-1-methyl-2-oxoethylcarbamate
SpectraBase Compound ID 1wL2FkVGXMC
InChI InChI=1S/C22H24N4O4/c1-14(25-22(29)30-13-15-7-3-2-4-8-15)21(28)26-19(20(23)27)11-16-12-24-18-10-6-5-9-17(16)18/h2-10,12,14,19,24H,11,13H2,1H3,(H2,23,27)(H,25,29)(H,26,28)
InChIKey CEPJLVPHWQXBTR-UHFFFAOYSA-N
Mol Weight 408.46 g/mol
Molecular Formula C22H24N4O4
Exact Mass 408.179755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DeBhtOhf9Fv
Name Benzyl (1S)-2-{[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino}-1-methyl-2-oxoethylcarbamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.179755265 u
Formula C22H24N4O4
InChI InChI=1S/C22H24N4O4/c1-14(25-22(29)30-13-15-7-3-2-4-8-15)21(28)26-19(20(23)27)11-16-12-24-18-10-6-5-9-17(16)18/h2-10,12,14,19,24H,11,13H2,1H3,(H2,23,27)(H,25,29)(H,26,28)
InChIKey CEPJLVPHWQXBTR-UHFFFAOYSA-N
Molecular Weight 408.458 g/mol
SMILES N1C2=C(C(CC(C(=O)N)NC(C(NC(=O)OCC3=CC=CC=C3)C)=O)=C1)C=CC=C2