For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Threo-2-{2'-[(allyloxycarbonyl)amino]-1'-(1""""-benzyl-3''-indolyl)-2'-(ethoxycarbonyl)ethyl]}malonic acid

Compound with spectra: 1 NMR, and 1 MS (GC)

Threo-2-{2'-[(allyloxycarbonyl)amino]-1'-(1""""-benzyl-3''-indolyl)-2'-(ethoxycarbonyl)ethyl]}malonic acid
SpectraBase Compound ID Bj00rDJJB9a
InChI InChI=1S/C27H28N2O8/c1-3-14-37-27(35)28-23(26(34)36-4-2)21(22(24(30)31)25(32)33)19-16-29(15-17-10-6-5-7-11-17)20-13-9-8-12-18(19)20/h3,5-13,16,21-23H,1,4,14-15H2,2H3,(H,28,35)(H,30,31)(H,32,33)/t21-,23+/m1/s1
InChIKey YZPMNUOHJNLNSD-GGAORHGYSA-N
Mol Weight 508.53 g/mol
Molecular Formula C27H28N2O8
Exact Mass 508.184566 g/mol
Enantiomer InChIKey YZPMNUOHJNLNSD-JTHBVZDNSA-N

View Spectrum of Threo-2-{2'-[(allyloxycarbonyl)amino]-1'-(1""""-benzyl-3''-indolyl)-2'-(ethoxycarbonyl)ethyl]}malonic acid

13C NMR Spectrum
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.

View Spectrum of Threo-2-{2'-[(allyloxycarbonyl)amino]-1'-(1""""-benzyl-3''-indolyl)-2'-(ethoxycarbonyl)ethyl]}malonic acid

MS (GC) Spectrum
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum SK-26-3052-28
  • threo-2-{2'-[(Allyloxycarbonyl)amino]-1'-(1"-benzyl-3''-indolyl)-2'-(ethoxycarbonyl)ethyl]}malonic acid
  • 2-[(1S,2S)-2-(allyloxycarbonylamino)-1-(1-benzylindol-3-yl)-3-ethoxy-3-oxo-propyl]propanedioic acid
  • 2-[(1S,2S)-1-(1-benzylindol-3-yl)-3-ethoxy-3-oxo-2-(prop-2-enoxycarbonylamino)propyl]propanedioic acid
  • 2-[(1S,2S)-3-ethoxy-3-oxidanylidene-1-[1-(phenylmethyl)indol-3-yl]-2-(prop-2-enoxycarbonylamino)propyl]propanedioic acid
  • 2-[(1S,2S)-3-ethoxy-3-oxo-2-[[oxo(prop-2-enoxy)methyl]amino]-1-[1-(phenylmethyl)-3-indolyl]propyl]propanedioic acid
  • threo-2-{2'-[(Allyloxycarbonyl)amino]-1'-(1''-benzyl-3''-indolyl)-2'-(ethoxycarbonyl)ethyl]}malonic acid
(R)-(Threo)-N-(2S,3S)-(2'-acetoxy-1'-phenylethyl)-3-(1''-benzyl-3''-indolyl)-2-[(allyloxycarbonyl)amino]-5-hydroxypentanamide
(3S,4S)-3-bromanyl-1-[(1R)-2-oxidanyl-1-phenyl-ethyl]-4-[1-(phenylmethyl)indol-3-yl]piperidin-2-one
(3R,4R,5S)-[5-(tert-Butyldimethylsilyloxymethyl)-4-(1H-indol-3-yl)-2-oxotetrahydrofuran-3-yl]carbamic acid benzyl ester
N-(R)-(2'-Acetoxy-1'-phenylethyl)-4-(R)-(1''-benzyl-3''-indolyl)-6-ethoxypiperidin-2-one
LY333531;RUBOXISTAURIN
1H-Indole, 3-[[2,2-bis(chlorodifluoromethyl)-5-oxo-4-oxazolidinyl]methyl]-1-(2,2 ,3,3,4,4,4-heptafluoro-1-oxobutyl)-
(5E)-2-azanylidene-5-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylidene]-3-(2,5-dimethylphenyl)-1,3-thiazolidin-4-one
Cabergoline artifact (-COOH) ME
2-[(3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(1H-indol-3-yl)-2-keto-piperidino]acetic acid
11-ISOPROPYL-5-N-METHYLBENZO-DELTA-CARBOLINIUM-TRIFLATE
Other Resources
Unknown Identification

Search your unknown spectrum against the world's largest collection of reference spectra

KnowItAll Campus Solutions

KnowItAll offers faculty and students at your school access to all the tools you need for spectral analysis and structure drawing & publishing! Plus, access the world's largest spectral library.