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Diethyl 2-({4-[(benzyloxy)amino]-4-oxobutanoyl}amino)-2(1H-indol-3-ylmethyl)malonate

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Diethyl 2-({4-[(benzyloxy)amino]-4-oxobutanoyl}amino)-2(1H-indol-3-ylmethyl)malonate
SpectraBase Compound ID 6x0cVEX5BUk
InChI InChI=1S/C27H31N3O7/c1-3-35-25(33)27(26(34)36-4-2,16-20-17-28-22-13-9-8-12-21(20)22)29-23(31)14-15-24(32)30-37-18-19-10-6-5-7-11-19/h5-13,17,28H,3-4,14-16,18H2,1-2H3,(H,29,31)(H,30,32)
InChIKey NMTLJMBNTQVIKH-UHFFFAOYSA-N
Mol Weight 509.56 g/mol
Molecular Formula C27H31N3O7
Exact Mass 509.2162 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lLhH7Y8mD
Name DIETHYL-2-([4-[(BENZYLOXY)-AMINO]-4-OXOBUTANOYL]-AMINO)-2-(1H-INDOL-3-YL-METHYL)-MALONATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H31N3O7
InChI InChI=1S/C27H31N3O7/c1-3-35-25(33)27(26(34)36-4-2,16-20-17-28-22-13-9-8-12-21(20)22)29-23(31)14-15-24(32)30-37-18-19-10-6-5-7-11-19/h5-13,17,28H,3-4,14-16,18H2,1-2H3,(H,29,31)(H,30,32)
InChIKey NMTLJMBNTQVIKH-UHFFFAOYSA-N
Literature Reference Author V.MARCQ,C.MIRAND,H.EMONARD,W.HORNEBECK
Literature Reference Citation HETEROCYCLES,51,1079(1999)
Literature Reference DOI 10.3987/COM-98-8450
Molecular Weight 509.559 g/mol
Solvent CDCl3
Source File Reference UWVP7498