For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-[3-(Pyrrol[2-carboxy-1-(4-fluoro-phenyl)-ethylcarbamoyl]-methylmorpho-carbamoyl)-propionyl]-piperazine-1-carboxylic acid, tert-butyl ester

View entire compound with spectra: 1 NMR

4-[3-(Pyrrol[2-carboxy-1-(4-fluoro-phenyl)-ethylcarbamoyl]-methylmorpho-carbamoyl)-propionyl]-piperazine-1-carboxylic acid, tert-butyl ester
SpectraBase Compound ID 5oYkvTEn6C
InChI InChI=1S/C24H33FN4O7/c1-24(2,3)36-23(35)29-12-10-28(11-13-29)21(32)9-8-19(30)26-15-20(31)27-18(14-22(33)34)16-4-6-17(25)7-5-16/h4-7,18H,8-15H2,1-3H3,(H,26,30)(H,27,31)(H,33,34)
InChIKey DIRBNSHXXZOCHB-UHFFFAOYSA-N
Mol Weight 508.5 g/mol
Molecular Formula C24H33FN4O7
Exact Mass 508.233328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EzQRd0bW5vW
Name 4-[3-(Pyrrol[2-carboxy-1-(4-fluoro-phenyl)-ethylcarbamoyl]-methylmorpho-carbamoyl)-propionyl]-piperazine-1-carboxylic acid, tert-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.233327575 u
Formula C24H33FN4O7
InChI InChI=1S/C24H33FN4O7/c1-24(2,3)36-23(35)29-12-10-28(11-13-29)21(32)9-8-19(30)26-15-20(31)27-18(14-22(33)34)16-4-6-17(25)7-5-16/h4-7,18H,8-15H2,1-3H3,(H,26,30)(H,27,31)(H,33,34)
InChIKey DIRBNSHXXZOCHB-UHFFFAOYSA-N
Molecular Weight 508.547 g/mol
SMILES C(N1CCN(CC1)C(=O)CCC(NCC(NC(CC(=O)O)C1=CC=C(C=C1)F)=O)=O)(OC(C)(C)C)=O