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L-Thyrosine, N,o-bis(cyclopentylcarbonyl)-, methyl ester

View entire compound with spectra: 1 NMR

L-Thyrosine, N,o-bis(cyclopentylcarbonyl)-, methyl ester
SpectraBase Compound ID Fe4tDUG7VqH
InChI InChI=1S/C22H29NO5/c1-27-22(26)19(23-20(24)16-6-2-3-7-16)14-15-10-12-18(13-11-15)28-21(25)17-8-4-5-9-17/h10-13,16-17,19H,2-9,14H2,1H3,(H,23,24)
InChIKey ZVPXYXVWHSVBNM-UHFFFAOYSA-N
Mol Weight 387.48 g/mol
Molecular Formula C22H29NO5
Exact Mass 387.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkOXtyBP8LE
Name L-Thyrosine, N,o-bis(cyclopentylcarbonyl)-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.204573033 u
Formula C22H29NO5
InChI InChI=1S/C22H29NO5/c1-27-22(26)19(23-20(24)16-6-2-3-7-16)14-15-10-12-18(13-11-15)28-21(25)17-8-4-5-9-17/h10-13,16-17,19H,2-9,14H2,1H3,(H,23,24)
InChIKey ZVPXYXVWHSVBNM-UHFFFAOYSA-N
Molecular Weight 387.476 g/mol
SMILES C1CCCC1C(NC(C(OC)=O)CC1=CC=C(C=C1)OC(=O)C1CCCC1)=O