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(2S*,5S*)-5-(2-1H-Indol-3-ylacetylamino)-1-(4-methoxybenzyl)-5-methyl-6-oxopiperidine-2-carboxylic acid phenylethylamide
SpectraBase Compound ID 64L7kcIbB0M
InChI InChI=1S/C33H36N4O4/c1-4-36(25-10-6-5-7-11-25)31(39)29-18-19-33(2,32(40)37(29)22-23-14-16-26(41-3)17-15-23)35-30(38)20-24-21-34-28-13-9-8-12-27(24)28/h5-17,21,29,34H,4,18-20,22H2,1-3H3,(H,35,38)/t29-,33-/m0/s1
InChIKey HVLIUEZGJDTZIH-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 A69Ntbcltbt
Name (2S*,5S*)-5-(2-1H-Indol-3-ylacetylamino)-1-(4-methoxybenzyl)-5-methyl-6-oxopiperidine-2-carboxylic acid phenylethylamide
Alternate Name(s) (2S,5S)-N-ethyl-5-[(1H-indol-3-ylacetyl)amino]-1-(4-methoxybenzyl)-5-methyl-6-oxo-N-phenyl-2-piperidinecarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36N4O4
InChI InChI=1S/C33H36N4O4/c1-4-36(25-10-6-5-7-11-25)31(39)29-18-19-33(2,32(40)37(29)22-23-14-16-26(41-3)17-15-23)35-30(38)20-24-21-34-28-13-9-8-12-27(24)28/h5-17,21,29,34H,4,18-20,22H2,1-3H3,(H,35,38)/t29-,33-/m0/s1
InChIKey HVLIUEZGJDTZIH-ZQAZVOLISA-N
Molecular Weight 552.675 g/mol
SMILES N([C@@]1(C(N([C@](C(N(c2ccccc2)CC)=O)(CC1)[H])Cc1ccc(cc1)OC)=O)C)C(Cc1c[nH]c2c1cccc2)=O
SPLASH splash10-00di-0902020000-54838eb2bddbf039cbda
Source of Spectrum KC-61-9562-0
Wiley ID 1630692