Tyrosine, N-[N-[N-(1-adamantylcarbonyl)glycyl]-L-leucyl]-, methyl ester, L-

SpectraBase Compound ID	4IqIE2O2LxH
InChI	InChI=1S/C29H41N3O6/c1-17(2)8-23(26(35)32-24(27(36)38-3)12-18-4-6-22(33)7-5-18)31-25(34)16-30-28(37)29-13-19-9-20(14-29)11-21(10-19)15-29/h4-7,17,19-21,23-24,33H,8-16H2,1-3H3,(H,30,37)(H,31,34)(H,32,35)/t19-,20+,21-,23?,24?,29-
InChIKey	WMJOGNLVHCKZGN-XDGJBEJVSA-N Google Search
Mol Weight	527.7 g/mol
Molecular Formula	C29H41N3O6
Exact Mass	527.299536 g/mol

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SpectraBase Spectrum ID	6RckguXfLN7
Name	Tyrosine, N-[N-[N-(1-adamantylcarbonyl)glycyl]-L-leucyl]-, methyl ester, L-
Alternate Name(s)	Methyl 2-([2-(([(1-adamantylcarbonyl)amino]acetyl)amino)-4-methylpentanoyl]amino)-3-(4-hydroxyphenyl)propanoate 2-[[2-[[2-(adamantane-1-carbonylamino)acetyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester 2-[[2-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester Methyl 2-[[2-[2-(1-adamantylcarbonylamino)ethanoylamino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate Methyl 2-[[2-[[2-(adamantane-1-carbonylamino)acetyl]amino]-4-methyl-pentanoyl]amino]-3-(4-hydroxyphenyl)propanoate
CAS Registry Number	28415-42-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H41N3O6
InChI	InChI=1S/C29H41N3O6/c1-17(2)8-23(26(35)32-24(27(36)38-3)12-18-4-6-22(33)7-5-18)31-25(34)16-30-28(37)29-13-19-9-20(14-29)11-21(10-19)15-29/h4-7,17,19-21,23-24,33H,8-16H2,1-3H3,(H,30,37)(H,31,34)(H,32,35)/t19-,20+,21-,23?,24?,29-
InChIKey	WMJOGNLVHCKZGN-XDGJBEJVSA-N
Molecular Weight	527.662 g/mol
SMILES	N(C(Cc1ccc(cc1)O)C(=O)OC)C(C(CC(C)C)NC(CNC(C12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O)=O)=O
SPLASH	splash10-000i-6921000000-a966d56ac414fcaab636
Source of Spectrum	O-3-799-8
Wiley ID	63791