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

SpectraBase Compound ID	4DODhpx5Wv4
InChI	InChI=1S/C26H25Cl2N3O9/c27-14-5-11(7-16(29)24(33)34)1-3-18(14)39-20-9-13(22(31)26(37)38)10-21(23(20)32)40-19-4-2-12(6-15(19)28)8-17(30)25(35)36/h1-6,9-10,16-17,22,32H,7-8,29-31H2,(H,33,34)(H,35,36)(H,37,38)
InChIKey	UUMSVPLRYIDYMP-UHFFFAOYSA-N Google Search
Mol Weight	594.4 g/mol
Molecular Formula	C26H25Cl2N3O9
Exact Mass	593.096785 g/mol

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SpectraBase Spectrum ID	8JBQsNY1bf6
Name	O-(3-[4-(2-Amino-2-carboxy-ethyl)-2-chloro-phenoxy]-5-amino-carboxymethyl-2-hydroxyphenyl)-3-chloro-tyrosine
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C26H25Cl2N3O9
InChI	InChI=1S/C26H25Cl2N3O9/c27-14-5-11(7-16(29)24(33)34)1-3-18(14)39-20-9-13(22(31)26(37)38)10-21(23(20)32)40-19-4-2-12(6-15(19)28)8-17(30)25(35)36/h1-6,9-10,16-17,22,32H,7-8,29-31H2,(H,33,34)(H,35,36)(H,37,38)
InChIKey	UUMSVPLRYIDYMP-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