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(6R)-N-((S)-1-Carboxymethyl-2-[indol-3-yl]ethyl)-3-ethyl-4-oxo-6-heptyl-2,3-didehydropiperidine
SpectraBase Compound ID 1Vsb8MATxCQ
InChI InChI=1S/C26H36N2O3/c1-4-6-7-8-9-12-21-16-25(29)19(5-2)18-28(21)24(26(30)31-3)15-20-17-27-23-14-11-10-13-22(20)23/h10-11,13-14,17-18,21,24,27H,4-9,12,15-16H2,1-3H3/t21-,24+/m1/s1
InChIKey ZSLLEPIKKOGAEX-QPPBQGQZSA-N
Mol Weight 424.6 g/mol
Molecular Formula C26H36N2O3
Exact Mass 424.272593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XJaEe9D395
Name (6R)-N-((S)-1-Carboxymethyl-2-[indol-3-yl]ethyl)-3-ethyl-4-oxo-6-heptyl-2,3-didehydropiperidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N2O3
InChI InChI=1S/C26H36N2O3/c1-4-6-7-8-9-12-21-16-25(29)19(5-2)18-28(21)24(26(30)31-3)15-20-17-27-23-14-11-10-13-22(20)23/h10-11,13-14,17-18,21,24,27H,4-9,12,15-16H2,1-3H3/t21-,24+/m1/s1
InChIKey ZSLLEPIKKOGAEX-QPPBQGQZSA-N
Molecular Weight 424.585 g/mol
SMILES [nH]1c2c(c(c1)C[C@](N1C=C(CC)C(C[C@]1(CCCCCCC)[H])=O)(C(=O)OC)[H])cccc2
SPLASH splash10-001i-0910100000-f63d2958783de820d81a
Source of Spectrum QE-3-148-18
Synonyms (6R)-N-((S)-1-methoxyCarbonyl-2-[indol-3-yl]ethyl)-3-ethyl-4-oxo-6-heptyl-2,3-didehydropiperidine (S)-2-((R)-5-Ethyl-2-heptyl-4-oxo-3,4-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)-propionic acid methyl ester Methyl (2S)-2-((2R)-5-ethyl-2-heptyl-4-oxo-3,4-dihydro-1(2H)-pyridinyl)-3-(1H-indol-3-yl)propanoate
Wiley ID 843029