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4-(3-Pyrrol[(2-ethoxycarbonyl-1-phenyl-ethylcarbamoyl)-methyl]-carbamoylmorpho-propionyl)-piperazine-1-carboxylic acid, ethyl ester

View entire compound with spectra: 1 NMR

4-(3-Pyrrol[(2-ethoxycarbonyl-1-phenyl-ethylcarbamoyl)-methyl]-carbamoylmorpho-propionyl)-piperazine-1-carboxylic acid, ethyl ester
SpectraBase Compound ID 8ZgSBDyYQ27
InChI InChI=1S/C24H34N4O7/c1-3-34-23(32)16-19(18-8-6-5-7-9-18)26-21(30)17-25-20(29)10-11-22(31)27-12-14-28(15-13-27)24(33)35-4-2/h5-9,19H,3-4,10-17H2,1-2H3,(H,25,29)(H,26,30)
InChIKey LYSCGXWMNPPWOI-UHFFFAOYSA-N
Mol Weight 490.6 g/mol
Molecular Formula C24H34N4O7
Exact Mass 490.242749 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbgPuqjmOeW
Name 4-(3-Pyrrol[(2-ethoxycarbonyl-1-phenyl-ethylcarbamoyl)-methyl]-carbamoylmorpho-propionyl)-piperazine-1-carboxylic acid, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 490.242749444 u
Formula C24H34N4O7
InChI InChI=1S/C24H34N4O7/c1-3-34-23(32)16-19(18-8-6-5-7-9-18)26-21(30)17-25-20(29)10-11-22(31)27-12-14-28(15-13-27)24(33)35-4-2/h5-9,19H,3-4,10-17H2,1-2H3,(H,25,29)(H,26,30)
InChIKey LYSCGXWMNPPWOI-UHFFFAOYSA-N
Molecular Weight 490.557 g/mol
SMILES C(N1CCN(CC1)C(=O)CCC(NCC(NC(CC(=O)OCC)C1=CC=CC=C1)=O)=O)(=O)OCC