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(S)-4-Acetyl-1-methyl-3-(.alpha.-Hydroxy-4-nitrobenzyl)-6-[(1-(t-butoxycarbonyl)indol-3-yl)methyl]hexahydropyrazin-2,5-dione

View entire compound with spectra: 1 MS (GC)

(S)-4-Acetyl-1-methyl-3-(.alpha.-Hydroxy-4-nitrobenzyl)-6-[(1-(t-butoxycarbonyl)indol-3-yl)methyl]hexahydropyrazin-2,5-dione
SpectraBase Compound ID 8KXLHTE4OWs
InChI InChI=1S/C28H30N4O8/c1-16(33)31-23(24(34)17-10-12-19(13-11-17)32(38)39)26(36)29(5)22(25(31)35)14-18-15-30(27(37)40-28(2,3)4)21-9-7-6-8-20(18)21/h6-13,15,22-24,34H,14H2,1-5H3/t22-,23?,24?/m0/s1
InChIKey LRYXFOSHSFOLEM-BOMBAVFCSA-N
Mol Weight 550.57 g/mol
Molecular Formula C28H30N4O8
Exact Mass 550.206364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WOS2Dhr7AV
Name (S)-4-Acetyl-1-methyl-3-(.alpha.-Hydroxy-4-nitrobenzyl)-6-[(1-(t-butoxycarbonyl)indol-3-yl)methyl]hexahydropyrazin-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30N4O8
InChI InChI=1S/C28H30N4O8/c1-16(33)31-23(24(34)17-10-12-19(13-11-17)32(38)39)26(36)29(5)22(25(31)35)14-18-15-30(27(37)40-28(2,3)4)21-9-7-6-8-20(18)21/h6-13,15,22-24,34H,14H2,1-5H3/t22-,23?,24?/m0/s1
InChIKey LRYXFOSHSFOLEM-BOMBAVFCSA-N
Molecular Weight 550.568 g/mol
SMILES OC(C1N(C([C@@](N(C)C1=O)(Cc1c[n](C(OC(C)(C)C)=O)c2c1cccc2)[H])=O)C(=O)C)c1ccc(N(=O)=O)cc1
SPLASH splash10-053r-4900000000-8f492a471a277203cc1c
Source of Spectrum F-55-1184-18
Synonyms 4-Acetyl-1-methyl-3-(.alpha.-Hydroxy-4-nitrobenzyl)-6-[(1-(t-butoxycarbonyl)indol-3-yl)methyl]hexahydropyrazin-2,5-dione tert-Butyl 3-({(2S)-4-acetyl-5-[hydroxy(4-nitrophenyl)methyl]-1-methyl-3,6-dioxopiperazinyl}methyl)-1H-indole-1-carboxylate
Wiley ID 836680