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(2R,3S)-N-Cyclohexyl-N2-phthaloyl-3-methylasparagine methyl ester
SpectraBase Compound ID EdHzPKXaPyc
InChI InChI=1S/C20H24N2O5/c1-12(17(23)21-13-8-4-3-5-9-13)16(20(26)27-2)22-18(24)14-10-6-7-11-15(14)19(22)25/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,21,23)/t12-,16-/m0/s1
InChIKey GBCZMMNOSWAJNG-LRDDRELGSA-N
Mol Weight 372.42 g/mol
Molecular Formula C20H24N2O5
Exact Mass 372.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMUAzvb4qV4
Name (2R,3S)-N-Cyclohexyl-N2-phthaloyl-3-methylasparagine methyl ester
Alternate Name(s) (RS,RS)-N-Cyclohexyl-N2-phthaloyl-3-methylasparagine methyl ester Methyl (2R,3S)-4-(cyclohexylamino)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methyl-4-oxobutanoate
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Formula C20H24N2O5
InChI InChI=1S/C20H24N2O5/c1-12(17(23)21-13-8-4-3-5-9-13)16(20(26)27-2)22-18(24)14-10-6-7-11-15(14)19(22)25/h6-7,10-13,16H,3-5,8-9H2,1-2H3,(H,21,23)/t12-,16-/m0/s1
InChIKey GBCZMMNOSWAJNG-LRDDRELGSA-N
Molecular Weight 372.421 g/mol
SMILES N(C([C@]([C@](N1C(c2ccccc2C1=O)=O)(C(=O)OC)[H])(C)[H])=O)C1CCCCC1
SPLASH splash10-03dj-0091000000-31ea8a8e7a648f3dc5f5
Source of Spectrum F-51-2375-11
Wiley ID 791003