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O-benzyl-N,N-dibenzoyl-2,5-diamino-4-(1-(methoxycarbonyl)-2-oxopropyl)phenol
SpectraBase Compound ID LgsocI7lKqs
InChI InChI=1S/C32H28N2O6/c1-21(35)29(32(38)39-2)25-18-26(33)28(40-20-22-12-6-3-7-13-22)19-27(25)34(30(36)23-14-8-4-9-15-23)31(37)24-16-10-5-11-17-24/h3-19,29H,20,33H2,1-2H3
InChIKey PJWBBNBGFWMUFR-UHFFFAOYSA-N
Mol Weight 536.6 g/mol
Molecular Formula C32H28N2O6
Exact Mass 536.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ktft0yFLu2
Name O-benzyl-N,N-dibenzoyl-2,5-diamino-4-(1-(methoxycarbonyl)-2-oxopropyl)phenol
CAS Registry Number 124400-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H28N2O6
InChI InChI=1S/C32H28N2O6/c1-21(35)29(32(38)39-2)25-18-26(33)28(40-20-22-12-6-3-7-13-22)19-27(25)34(30(36)23-14-8-4-9-15-23)31(37)24-16-10-5-11-17-24/h3-19,29H,20,33H2,1-2H3
InChIKey PJWBBNBGFWMUFR-UHFFFAOYSA-N
Molecular Weight 536.584 g/mol
SMILES Nc1c(cc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c(C(C(=O)OC)C(=O)C)c1)OCc1ccccc1
SPLASH splash10-0a4i-1900000000-dbfb2212ebc4a2833fdf
Source of Spectrum J-55-1388-23
Synonyms Methyl 2-[5-amino-4-(benzyloxy)-2-(dibenzoylamino)phenyl]-3-oxobutanoate
Wiley ID 1404112