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N-(4-HYDROXY-3-METHOXYBENZOYL)-L-CYSTINE-ETHYLESTER

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N-(4-HYDROXY-3-METHOXYBENZOYL)-L-CYSTINE-ETHYLESTER
SpectraBase Compound ID 3hbfY8nfPdo
InChI InChI=1S/C26H32N2O10S2/c1-5-37-25(33)17(27-23(31)15-7-9-19(29)21(11-15)35-3)13-39-40-14-18(26(34)38-6-2)28-24(32)16-8-10-20(30)22(12-16)36-4/h7-12,17-18,29-30H,5-6,13-14H2,1-4H3,(H,27,31)(H,28,32)/t17-,18+
InChIKey AOYMBQNKMIFRNY-HDICACEKSA-N
Mol Weight 596.7 g/mol
Molecular Formula C26H32N2O10S2
Exact Mass 596.149838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ed1ipWUWRo3
Name N-(4-HYDROXY-3-METHOXYBENZOYL)-L-CYSTINE-ETHYLESTER
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32N2O10S2
InChI InChI=1S/C26H32N2O10S2/c1-5-37-25(33)17(27-23(31)15-7-9-19(29)21(11-15)35-3)13-39-40-14-18(26(34)38-6-2)28-24(32)16-8-10-20(30)22(12-16)36-4/h7-12,17-18,29-30H,5-6,13-14H2,1-4H3,(H,27,31)(H,28,32)/t17-,18+
InChIKey AOYMBQNKMIFRNY-HDICACEKSA-N
Literature Reference Author C.PETIT,V.BERNARDES-GENISSON,P.HOFFMANN,J.P.SOUCHARD,S.LABID ALLE
Literature Reference Citation CHEM.PHARM.BULL.,48,1634(2000)
Literature Reference DOI 10.1248/cpb.48.1634
Molecular Weight 596.667 g/mol
Solvent CDCl3
Source File Reference UWVN4647