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(3R,4S)-1-(2-tert-butoxy-2-keto-ethyl)-4-(1H-indol-3-yl)-2-keto-nipecotic acid
SpectraBase Compound ID BiNh2877iI7
InChI InChI=1S/C20H24N2O5/c1-20(2,3)27-16(23)11-22-9-8-13(17(18(22)24)19(25)26)14-10-21-15-7-5-4-6-12(14)15/h4-7,10,13,17,21H,8-9,11H2,1-3H3,(H,25,26)/t13-,17-/m1/s1
InChIKey YMDAEPLOSXIVBO-CXAGYDPISA-N
Mol Weight 372.42 g/mol
Molecular Formula C20H24N2O5
Exact Mass 372.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxiMfuw7y7N
Name (3R,4S)-1-(2-tert-butoxy-2-keto-ethyl)-4-(1H-indol-3-yl)-2-keto-nipecotic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24N2O5
InChI InChI=1S/C20H24N2O5/c1-20(2,3)27-16(23)11-22-9-8-13(17(18(22)24)19(25)26)14-10-21-15-7-5-4-6-12(14)15/h4-7,10,13,17,21H,8-9,11H2,1-3H3,(H,25,26)/t13-,17-/m1/s1
InChIKey YMDAEPLOSXIVBO-CXAGYDPISA-N
Molecular Weight 372.421 g/mol
SMILES [nH]1c2c(c([C@]3(CCN(C([C@@]3(C(=O)O)[H])=O)CC(OC(C)(C)C)=O)[H])c1)cccc2
SPLASH splash10-0ab9-9242000000-98e70415f26767da1057
Source of Spectrum F-68-9550-9
Synonyms (3R,4S)-1-(2-tert-butoxy-2-oxo-ethyl)-4-(1H-indol-3-yl)-2-oxo-piperidine-3-carboxylic acid (3R,4S)-4-(1H-indol-3-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-oxidanylidene-piperidine-3-carboxylic acid (3R,4S)-4-(1H-indol-3-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-3-piperidinecarboxylic acid (3R,4S)-4-(1H-indol-3-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperidine-3-carboxylic acid
Wiley ID 1573878