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(S)-N-methyl-N-methoxy-2-(benzyl(benzyloxycarbonyl)amino)pentanedioicacid 1-amide 5-methylester
SpectraBase Compound ID KTs8jtPHH4E
InChI InChI=1S/C23H28N2O6/c1-24(30-3)22(27)20(14-15-21(26)29-2)25(16-18-10-6-4-7-11-18)23(28)31-17-19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3/t20-/m0/s1
InChIKey CCFMDRXUFFBPLJ-FQEVSTJZSA-N
Mol Weight 428.49 g/mol
Molecular Formula C23H28N2O6
Exact Mass 428.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2egBrFmJ70o
Name (S)-N-methyl-N-methoxy-2-(benzyl(benzyloxycarbonyl)amino)pentanedioicacid 1-amide 5-methylester
Appearance Colorless oil
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Formula C23H28N2O6
InChI InChI=1S/C23H28N2O6/c1-24(30-3)22(27)20(14-15-21(26)29-2)25(16-18-10-6-4-7-11-18)23(28)31-17-19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3/t20-/m0/s1
InChIKey CCFMDRXUFFBPLJ-FQEVSTJZSA-N
Instrument Name Waters Micromass LCT Premier
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.35
Molecular Weight 428.485 g/mol
Optical Rotation [a]D = -45.7 (c = 1.386, CHCl3
Reported Formula C23H28N2O6
SMILES C(N(Cc1ccccc1)[C@@](CCC(=O)OC)(C(N(C)OC)=O)[H])(=O)OCc1ccccc1
SPLASH splash10-0006-9000000000-92d8ad410d01c3c15b34
Source of Spectrum BJO-10-SM31-5e
Thin-Layer Chromatography Rf = 0.34 (EtOAc/c-Hex, 2:3)
Wiley ID 1854095