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 Google Search
Mol Weight	559.96 g/mol
Molecular Formula	C26H26ClN3O9
Exact Mass	559.135757 g/mol

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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 © 2002-2025 Wiley-VCH GmbH. 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