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O-(3-[4-(2-Amino-2-carboxy-ethyl)-2-chloro-phenoxy]-5-amino-carboxymethyl-2-hydroxyphenyl)-tyrosine

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O-(3-[4-(2-Amino-2-carboxy-ethyl)-2-chloro-phenoxy]-5-amino-carboxymethyl-2-hydroxyphenyl)-tyrosine
SpectraBase Compound ID IIU6lTMObvB
InChI InChI=1S/C26H26ClN3O9/c27-16-7-13(9-18(29)25(34)35)3-6-19(16)39-21-11-14(22(30)26(36)37)10-20(23(21)31)38-15-4-1-12(2-5-15)8-17(28)24(32)33/h1-7,10-11,17-18,22,31H,8-9,28-30H2,(H,32,33)(H,34,35)(H,36,37)
InChIKey XKLHSWYMYUCADE-UHFFFAOYSA-N
Mol Weight 559.96 g/mol
Molecular Formula C26H26ClN3O9
Exact Mass 559.135757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 669ds4kNnRZ
Name O-(3-[4-(2-Amino-2-carboxy-ethyl)-2-chloro-phenoxy]-5-amino-carboxymethyl-2-hydroxyphenyl)-tyrosine
CAS Registry Number 82554-22-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H26ClN3O9
InChI InChI=1S/C26H26ClN3O9/c27-16-7-13(9-18(29)25(34)35)3-6-19(16)39-21-11-14(22(30)26(36)37)10-20(23(21)31)38-15-4-1-12(2-5-15)8-17(28)24(32)33/h1-7,10-11,17-18,22,31H,8-9,28-30H2,(H,32,33)(H,34,35)(H,36,37)
InChIKey XKLHSWYMYUCADE-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference C.M. Harris, R. Kannan, H. Kopecka, J. Am. Chem. Soc. 107, 6652 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O