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(2S*,5S*)-Methyl 5-(3-1H-indol-3-ylpropionylamino)-1-(4-methoxybenzyl)-5-methyl-6-oxo-2-piperidinecarboxylate
SpectraBase Compound ID FPhI9B0Ofv2
InChI InChI=1S/C27H31N3O5/c1-27(29-24(31)13-10-19-16-28-22-7-5-4-6-21(19)22)15-14-23(25(32)35-3)30(26(27)33)17-18-8-11-20(34-2)12-9-18/h4-9,11-12,16,23,28H,10,13-15,17H2,1-3H3,(H,29,31)/t23-,27-/m0/s1
InChIKey LHLWPMHDOYUUQH-HOFKKMOUSA-N
Mol Weight 477.56 g/mol
Molecular Formula C27H31N3O5
Exact Mass 477.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72VqppeMYHh
Name (2S*,5S*)-Methyl 5-(3-1H-indol-3-ylpropionylamino)-1-(4-methoxybenzyl)-5-methyl-6-oxo-2-piperidinecarboxylate
Alternate Name(s) Methyl (2S,5S)-5-{[3-(1H-indol-3-yl)propanoyl]amino}-1-(4-methoxybenzyl)-5-methyl-6-oxo-2-piperidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H31N3O5
InChI InChI=1S/C27H31N3O5/c1-27(29-24(31)13-10-19-16-28-22-7-5-4-6-21(19)22)15-14-23(25(32)35-3)30(26(27)33)17-18-8-11-20(34-2)12-9-18/h4-9,11-12,16,23,28H,10,13-15,17H2,1-3H3,(H,29,31)/t23-,27-/m0/s1
InChIKey LHLWPMHDOYUUQH-HOFKKMOUSA-N
Molecular Weight 477.561 g/mol
SMILES N([C@@]1(C(N([C@](C(=O)OC)(CC1)[H])Cc1ccc(cc1)OC)=O)C)C(CCc1c[nH]c2c1cccc2)=O
SPLASH splash10-01t9-0050900000-edd3019df2d0ddcdda83
Source of Spectrum KC-61-9559-6
Wiley ID 1630702