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2-Benzoylamino-2-methyl-3-phenylpropionic acid 2-{[2-(2-benzoylamino-2-methyl-3-phenylpropionyloxy)ethyl]methylamino}ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2-Benzoylamino-2-methyl-3-phenylpropionic acid 2-{[2-(2-benzoylamino-2-methyl-3-phenylpropionyloxy)ethyl]methylamino}ethyl ester
SpectraBase Compound ID 1pAyVM3dWxW
InChI InChI=1S/C39H43N3O6/c1-38(28-30-16-8-4-9-17-30,40-34(43)32-20-12-6-13-21-32)36(45)47-26-24-42(3)25-27-48-37(46)39(2,29-31-18-10-5-11-19-31)41-35(44)33-22-14-7-15-23-33/h4-23H,24-29H2,1-3H3,(H,40,43)(H,41,44)
InChIKey FWZGUEPREMFGFN-UHFFFAOYSA-N
Mol Weight 649.8 g/mol
Molecular Formula C39H43N3O6
Exact Mass 649.315186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AJGIxup1Ht4
Name 2-Benzoylamino-2-methyl-3-phenylpropionic acid 2-{[2-(2-benzoylamino-2-methyl-3-phenylpropionyloxy)ethyl]methylamino}ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 649.315186111 u
Formula C39H43N3O6
InChI InChI=1S/C39H43N3O6/c1-38(28-30-16-8-4-9-17-30,40-34(43)32-20-12-6-13-21-32)36(45)47-26-24-42(3)25-27-48-37(46)39(2,29-31-18-10-5-11-19-31)41-35(44)33-22-14-7-15-23-33/h4-23H,24-29H2,1-3H3,(H,40,43)(H,41,44)
InChIKey FWZGUEPREMFGFN-UHFFFAOYSA-N
Molecular Weight 649.788 g/mol
SMILES C(NC(=O)C1=CC=CC=C1)(C(=O)OCCN(CCOC(C(NC(=O)C=1C=CC=CC1)(CC1=CC=CC=C1)C)=O)C)(CC1=CC=CC=C1)C