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N-[N'-(Isopropylcarbamoyl)-2-methylpropyl]-L-Aspartic acid methyl ester 1-(N-isopropylamido)-2-methylpropyl ester
SpectraBase Compound ID 1OaRAFK42nK
InChI InChI=1S/C23H43N3O6/c1-13(2)17(19(28)25-22(5,6)7)24-15(21(30)31-11)12-16(27)32-18(14(3)4)20(29)26-23(8,9)10/h13-15,17-18,24H,12H2,1-11H3,(H,25,28)(H,26,29)
InChIKey QWKIDAGMYWBIDP-UHFFFAOYSA-N
Mol Weight 457.6 g/mol
Molecular Formula C23H43N3O6
Exact Mass 457.315186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCUj93K4CMl
Name N-[N'-(Isopropylcarbamoyl)-2-methylpropyl]-L-Aspartic acid methyl ester 1-(N-isopropylamido)-2-methylpropyl ester
Alternate Name(s) 2-[[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]amino]butanedioic acid O4-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] ester O1-methyl ester 4-O-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl] 1-O-methyl 2-[[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]amino]butanedioate O4-[1-(tert-butylcarbamoyl)-2-methyl-propyl] O1-methyl 2-[[1-(tert-butylcarbamoyl)-2-methyl-propyl]amino]butanedioate O4-[1-(tert-butylamino)-3-methyl-1-oxidanylidene-butan-2-yl] O1-methyl 2-[[1-(tert-butylamino)-3-methyl-1-oxidanylidene-butan-2-yl]amino]butanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C23H43N3O6
InChI InChI=1S/C23H43N3O6/c1-13(2)17(19(28)25-22(5,6)7)24-15(21(30)31-11)12-16(27)32-18(14(3)4)20(29)26-23(8,9)10/h13-15,17-18,24H,12H2,1-11H3,(H,25,28)(H,26,29)
InChIKey QWKIDAGMYWBIDP-UHFFFAOYSA-N
Molecular Weight 457.612 g/mol
SMILES N(C(C(NC(C)(C)C)=O)C(C)C)C(CC(OC(C(NC(C)(C)C)=O)C(C)C)=O)C(=O)OC
SPLASH splash10-0a4i-0009000000-faf22a5238c1e7a4635f
Source of Spectrum F-52-11663-14
Wiley ID 798720