L-Phenylalanine, N-[N-(1-oxodecyl)-L-.alpha.-aspartyl]-, dimethyl ester

SpectraBase Compound ID	FE6wSe7K7cL
InChI	InChI=1S/C25H38N2O6/c1-4-5-6-7-8-9-13-16-22(28)26-20(18-23(29)32-2)24(30)27-21(25(31)33-3)17-19-14-11-10-12-15-19/h10-12,14-15,20-21H,4-9,13,16-18H2,1-3H3,(H,26,28)(H,27,30)
InChIKey	UPFSNKPFFUZUMI-UHFFFAOYSA-N Google Search
Mol Weight	462.6 g/mol
Molecular Formula	C25H38N2O6
Exact Mass	462.272987 g/mol

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SpectraBase Spectrum ID	3ewkFp7NpSk
Name	L-Phenylalanine, N-[N-(1-oxodecyl)-L-.alpha.-aspartyl]-, dimethyl ester
Alternate Name(s)	Methyl 4-[(1-benzyl-2-methoxy-2-oxoethyl)amino]-3-(decanoylamino)-4-oxobutanoate 4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-3-(caprylamino)-4-keto-butyric acid methyl ester 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-(1-oxodecylamino)butanoic acid methyl ester Methyl 3-(decanoylamino)-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoate Methyl 3-(decanoylamino)-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoate
CAS Registry Number	15939-53-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H38N2O6
InChI	InChI=1S/C25H38N2O6/c1-4-5-6-7-8-9-13-16-22(28)26-20(18-23(29)32-2)24(30)27-21(25(31)33-3)17-19-14-11-10-12-15-19/h10-12,14-15,20-21H,4-9,13,16-18H2,1-3H3,(H,26,28)(H,27,30)
InChIKey	UPFSNKPFFUZUMI-UHFFFAOYSA-N
Molecular Weight	462.587 g/mol
SMILES	N(C(C(NC(Cc1ccccc1)C(=O)OC)=O)CC(=O)OC)C(CCCCCCCCC)=O
SPLASH	splash10-0nu0-0940000000-7d10c148ca612d6e898b
Source of Spectrum	T-67-4613-0
Wiley ID	1391059