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N-(tert-Butyloxycarbonyl)-(.beta.-tert-butyl ester)-L-aspartyl-1-amino-2,2-dimethylcyclopropanecarboxylic Acid Methyl Ester

View entire compound with spectra: 1 MS (GC)

N-(tert-Butyloxycarbonyl)-(.beta.-tert-butyl ester)-L-aspartyl-1-amino-2,2-dimethylcyclopropanecarboxylic Acid Methyl Ester
SpectraBase Compound ID rRUgcgnWOP
InChI InChI=1S/C20H34N2O7/c1-17(2,3)28-13(23)10-12(21-16(26)29-18(4,5)6)14(24)22-20(15(25)27-9)11-19(20,7)8/h12H,10-11H2,1-9H3,(H,21,26)(H,22,24)
InChIKey ODNPJCOXTQZEQD-UHFFFAOYSA-N
Mol Weight 414.5 g/mol
Molecular Formula C20H34N2O7
Exact Mass 414.236601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pqTWTrpnYV
Name N-(tert-Butyloxycarbonyl)-(.beta.-tert-butyl ester)-L-aspartyl-1-amino-2,2-dimethylcyclopropanecarboxylic Acid Methyl Ester
Alternate Name(s) Methyl 1-({4-tert-butoxy-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoyl}amino)-2,2-dimethylcyclopropanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H34N2O7
InChI InChI=1S/C20H34N2O7/c1-17(2,3)28-13(23)10-12(21-16(26)29-18(4,5)6)14(24)22-20(15(25)27-9)11-19(20,7)8/h12H,10-11H2,1-9H3,(H,21,26)(H,22,24)
InChIKey ODNPJCOXTQZEQD-UHFFFAOYSA-N
Molecular Weight 414.499 g/mol
SMILES N(C1(C(C)(C)C1)C(=O)OC)C(C(CC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)=O
SPLASH splash10-0udi-0009300000-47eda73fec695b46ffde
Source of Spectrum J-57-1080-24
Wiley ID 1375280