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(2S*,5S*)-1-(4-Methoxybenzyl)-5-methyl-6-oxo-5-(phenacylamino)piperidine-2-carboxylic acid {2-(1H-indol-3-ylethyl}amide
SpectraBase Compound ID GsdguUhOwA8
InChI InChI=1S/C33H36N4O4/c1-33(36-21-30(38)24-8-4-3-5-9-24)18-16-29(37(32(33)40)22-23-12-14-26(41-2)15-13-23)31(39)34-19-17-25-20-35-28-11-7-6-10-27(25)28/h3-15,20,29,35-36H,16-19,21-22H2,1-2H3,(H,34,39)/t29-,33-/m0/s1
InChIKey SXKGWFPYPXKLNG-ZQAZVOLISA-N
Mol Weight 552.7 g/mol
Molecular Formula C33H36N4O4
Exact Mass 552.273656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6z5rN06V9B
Name (2S*,5S*)-1-(4-Methoxybenzyl)-5-methyl-6-oxo-5-(phenacylamino)piperidine-2-carboxylic acid {2-(1H-indol-3-ylethyl}amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36N4O4
InChI InChI=1S/C33H36N4O4/c1-33(36-21-30(38)24-8-4-3-5-9-24)18-16-29(37(32(33)40)22-23-12-14-26(41-2)15-13-23)31(39)34-19-17-25-20-35-28-11-7-6-10-27(25)28/h3-15,20,29,35-36H,16-19,21-22H2,1-2H3,(H,34,39)/t29-,33-/m0/s1
InChIKey SXKGWFPYPXKLNG-ZQAZVOLISA-N
Molecular Weight 552.675 g/mol
SMILES N([C@@]1(C(N([C@](C(=O)NCCc2c[nH]c3c2cccc3)(CC1)[H])Cc1ccc(cc1)OC)=O)C)CC(=O)c1ccccc1
SPLASH splash10-00di-0900200000-a8faf9de3caea6cc8a93
Source of Spectrum KC-61-9561-0
Wiley ID 1630695