L-Tyrosine, N-[N-[N-[(phenylmethoxy)carbonyl]-L-seryl]-L-leucyl]-, methyl ester

SpectraBase Compound ID	IgEuZ5nZ7QC
InChI	InChI=1S/C27H35N3O8/c1-17(2)13-21(24(33)29-22(26(35)37-3)14-18-9-11-20(32)12-10-18)28-25(34)23(15-31)30-27(36)38-16-19-7-5-4-6-8-19/h4-12,17,21-23,31-32H,13-16H2,1-3H3,(H,28,34)(H,29,33)(H,30,36)
InChIKey	VRWIMNXQXLLYDR-UHFFFAOYSA-N Google Search
Mol Weight	529.6 g/mol
Molecular Formula	C27H35N3O8
Exact Mass	529.242415 g/mol

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SpectraBase Spectrum ID	LJ9R2tZfpvF
Name	L-Tyrosine, N-[N-[N-[(phenylmethoxy)carbonyl]-L-seryl]-L-leucyl]-, methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	529.242415091 u
Formula	C27H35N3O8
InChI	InChI=1S/C27H35N3O8/c1-17(2)13-21(24(33)29-22(26(35)37-3)14-18-9-11-20(32)12-10-18)28-25(34)23(15-31)30-27(36)38-16-19-7-5-4-6-8-19/h4-12,17,21-23,31-32H,13-16H2,1-3H3,(H,28,34)(H,29,33)(H,30,36)
InChIKey	VRWIMNXQXLLYDR-UHFFFAOYSA-N
Molecular Weight	529.590 g/mol
SMILES	[C@](CC1=CC=C(C=C1)O)(NC([C@@](NC([C@@](NC(OCC1=CC=CC=C1)=O)(CO)[H])=O)(CC(C)C)[H])=O)(C(OC)=O)[H]