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

SpectraBase Compound ID	Ie4qtPE2FfN
InChI	InChI=1S/C26H27N3O9/c27-18(24(31)32)9-13-1-5-16(6-2-13)37-20-11-15(22(29)26(35)36)12-21(23(20)30)38-17-7-3-14(4-8-17)10-19(28)25(33)34/h1-8,11-12,18-19,22,30H,9-10,27-29H2,(H,31,32)(H,33,34)(H,35,36)
InChIKey	AKCFLRGTOLPAGT-UHFFFAOYSA-N Google Search
Mol Weight	525.51 g/mol
Molecular Formula	C26H27N3O9
Exact Mass	525.174729 g/mol

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SpectraBase Spectrum ID	8c7r7VhyVXl
Name	O-(3-[4-(2-Amino-2-carboxy-ethyl)-phenoxy]-5-amino-carboxymethyl-2-hydroxyphenyl)-tyrosine
Comments	SHIFT OF 158.0 PPM REPORTED FOR C23 MUST BE IN ERROR
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C26H27N3O9
InChI	InChI=1S/C26H27N3O9/c27-18(24(31)32)9-13-1-5-16(6-2-13)37-20-11-15(22(29)26(35)36)12-21(23(20)30)38-17-7-3-14(4-8-17)10-19(28)25(33)34/h1-8,11-12,18-19,22,30H,9-10,27-29H2,(H,31,32)(H,33,34)(H,35,36)
InChIKey	AKCFLRGTOLPAGT-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