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DIETHYL-2-[4-[(BENZYLOXY)-AMINO]-4-OXOBUTANOYL]-AMINO]-2-[2-(DIMETHYLAMINOETHYL)-1H-INDOL-2-YL-METHYL]]-MALONATE

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DIETHYL-2-[4-[(BENZYLOXY)-AMINO]-4-OXOBUTANOYL]-AMINO]-2-[2-(DIMETHYLAMINOETHYL)-1H-INDOL-2-YL-METHYL]]-MALONATE
SpectraBase Compound ID HBBa3UGPIO
InChI InChI=1S/C31H40N4O7/c1-5-40-29(38)31(30(39)41-6-2,20-24-23-14-10-11-15-25(23)32-26(24)18-19-35(3)4)33-27(36)16-17-28(37)34-42-21-22-12-8-7-9-13-22/h7-15,32H,5-6,16-21H2,1-4H3,(H,33,36)(H,34,37)
InChIKey VJXQUJBURLPABT-UHFFFAOYSA-N
Mol Weight 580.7 g/mol
Molecular Formula C31H40N4O7
Exact Mass 580.2897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6T2Eyu2N85s
Name 2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-2-[[1,4-dioxo-4-(phenylmethoxyamino)butyl]amino]propanedioic acid diethyl ester
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40N4O7
InChI InChI=1S/C31H40N4O7/c1-5-40-29(38)31(30(39)41-6-2,20-24-23-14-10-11-15-25(23)32-26(24)18-19-35(3)4)33-27(36)16-17-28(37)34-42-21-22-12-8-7-9-13-22/h7-15,32H,5-6,16-21H2,1-4H3,(H,33,36)(H,34,37)
InChIKey VJXQUJBURLPABT-UHFFFAOYSA-N
Molecular Weight 580.682 g/mol
SMILES [nH]1c2c(c(CC(C(=O)OCC)(C(=O)OCC)NC(CCC(=O)NOCc3ccccc3)=O)c1CCN(C)C)cccc2
SPLASH splash10-0006-0900000000-747d76dcf3f6e5d72031
Source of Spectrum H1-51-1084-10
Synonyms 2-[[4-(benzoxyamino)-4-keto-butanoyl]amino]-2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]malonic acid diethyl ester diethyl 2-({4-[(benzyloxy)amino]-4-oxobutanoyl}amino)-2-({2-[2-(dimethylamino)ethyl]-1H-indol-3-yl}methyl)malonate diethyl 2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-2-[[4-oxidanylidene-4-(phenylmethoxyamino)butanoyl]amino]propanedioate diethyl 2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]-2-[[4-oxo-4-(phenylmethoxyamino)butanoyl]amino]propanedioate diethyl 2-[[4-(benzyloxyamino)-4-oxo-butanoyl]amino]-2-[[2-(2-dimethylaminoethyl)-1H-indol-3-yl]methyl]propanedioate Diethyl 2-{4-[(Benzyloxy)amino]-4-oxobutanoyl}amino)-2-[2-dimethylaminoethyl)-1H-indol-3-ylmethyl]}-malonate 2-[[2-[2-(dimethylamino)ethyl]-1H-indol-3-yl]methyl]-2-[[1,4-dioxo-4-(phenylmethoxyamino)butyl]amino]propanedioic acid diethyl ester diethyl 2-[[2-[2-(dimethylamino)ethyl]-1H-indol-3-yl]methyl]-2-[[4-oxo-4-(phenylmethoxyamino)butanoyl]amino]propanedioate diethyl 2-[[4-(benzyloxyamino)-4-oxo-butanoyl]amino]-2-[[2-[2-(dimethylamino)ethyl]-1H-indol-3-yl]methyl]propanedioate diethyl 2-[[2-[2-(dimethylamino)ethyl]-1H-indol-3-yl]methyl]-2-[[4-oxidanylidene-4-(phenylmethoxyamino)butanoyl]amino]propanedioate
Wiley ID 817147