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(2S,7S)-{[N-(benzyloxycarbonyl)-2-2-(N-benzyloxycarbonyl)-(4,4-diethoxybutyl)amino]but-3-enyl}-2,5-dihydro-1H-pyrrole

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

(2S,7S)-{[N-(benzyloxycarbonyl)-2-2-(N-benzyloxycarbonyl)-(4,4-diethoxybutyl)amino]but-3-enyl}-2,5-dihydro-1H-pyrrole
SpectraBase Compound ID LbgcQ8J1cUN
InChI InChI=1S/C32H42N2O6/c1-4-28(23-29-19-13-21-34(29)32(36)40-25-27-17-11-8-12-18-27)33(22-14-20-30(37-5-2)38-6-3)31(35)39-24-26-15-9-7-10-16-26/h4,7-13,15-19,28-30H,1,5-6,14,20-25H2,2-3H3/t28-,29-/m1/s1
InChIKey STKHFUINWSCCNV-FQLXRVMXSA-N
Mol Weight 550.7 g/mol
Molecular Formula C32H42N2O6
Exact Mass 550.304287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K3CgNsYNzBq
Name (2S,7S)-{[N-(benzyloxycarbonyl)-2-2-(N-benzyloxycarbonyl)-(4,4-diethoxybutyl)amino]but-3-enyl}-2,5-dihydro-1H-pyrrole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.304287074 u
Formula C32H42N2O6
InChI InChI=1S/C32H42N2O6/c1-4-28(23-29-19-13-21-34(29)32(36)40-25-27-17-11-8-12-18-27)33(22-14-20-30(37-5-2)38-6-3)31(35)39-24-26-15-9-7-10-16-26/h4,7-13,15-19,28-30H,1,5-6,14,20-25H2,2-3H3/t28-,29-/m1/s1
InChIKey STKHFUINWSCCNV-FQLXRVMXSA-N
Molecular Weight 550.696 g/mol
SMILES C(N1[C@@](C[C@](N(C(OCC=2C=CC=CC2)=O)CCCC(OCC)OCC)(C=C)[H])(C=CC1)[H])(OCC1=CC=CC=C1)=O