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Ethyl 2-({4-[(benzyloxy)amino]-4-oxobutanoyl}amino)-3-[2-(dimethylaminoethyl)-1H-indol-3-yl]propionate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Ethyl 2-({4-[(benzyloxy)amino]-4-oxobutanoyl}amino)-3-[2-(dimethylaminoethyl)-1H-indol-3-yl]propionate
SpectraBase Compound ID HxdH66MxXJ8
InChI InChI=1S/C28H36N4O5/c1-4-36-28(35)25(18-22-21-12-8-9-13-23(21)29-24(22)16-17-32(2)3)30-26(33)14-15-27(34)31-37-19-20-10-6-5-7-11-20/h5-13,25,29H,4,14-19H2,1-3H3,(H,30,33)(H,31,34)
InChIKey OKJOSTLJSAFCTJ-UHFFFAOYSA-N
Mol Weight 508.6 g/mol
Molecular Formula C28H36N4O5
Exact Mass 508.26857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNmB9Nuy1j2
Name Ethyl 2-({4-[(benzyloxy)amino]-4-oxobutanoyl}amino)-3-[2-(dimethylaminoethyl)-1H-indol-3-yl]propionate
Alternate Name(s) 2-[[4-(benzoxyamino)-4-keto-butanoyl]amino]-3-[2-(2-dimethylaminoethyl)-1H-indol-3-yl]propionic acid ethyl ester 3-[2-(2-dimethylaminoethyl)-1H-indol-3-yl]-2-[[1,4-dioxo-4-(phenylmethoxyamino)butyl]amino]propanoic acid ethyl ester ethyl 2-({4-[(benzyloxy)amino]-4-oxobutanoyl}amino)-3-{2-[2-(dimethylamino)ethyl]-1H-indol-3-yl}propanoate ethyl 3-[2-(2-dimethylaminoethyl)-1H-indol-3-yl]-2-[[4-oxidanylidene-4-(phenylmethoxyamino)butanoyl]amino]propanoate ethyl 3-[2-(2-dimethylaminoethyl)-1H-indol-3-yl]-2-[[4-oxo-4-(phenylmethoxyamino)butanoyl]amino]propanoate 3-[2-[2-(dimethylamino)ethyl]-1H-indol-3-yl]-2-[[1,4-dioxo-4-(phenylmethoxyamino)butyl]amino]propanoic acid ethyl ester ethyl 3-[2-[2-(dimethylamino)ethyl]-1H-indol-3-yl]-2-[[4-oxo-4-(phenylmethoxyamino)butanoyl]amino]propanoate ethyl 2-[[4-(benzyloxyamino)-4-oxo-butanoyl]amino]-3-[2-[2-(dimethylamino)ethyl]-1H-indol-3-yl]propanoate ethyl 3-[2-[2-(dimethylamino)ethyl]-1H-indol-3-yl]-2-[[4-oxidanylidene-4-(phenylmethoxyamino)butanoyl]amino]propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C28H36N4O5
InChI InChI=1S/C28H36N4O5/c1-4-36-28(35)25(18-22-21-12-8-9-13-23(21)29-24(22)16-17-32(2)3)30-26(33)14-15-27(34)31-37-19-20-10-6-5-7-11-20/h5-13,25,29H,4,14-19H2,1-3H3,(H,30,33)(H,31,34)
InChIKey OKJOSTLJSAFCTJ-UHFFFAOYSA-N
Molecular Weight 508.619 g/mol
SMILES [nH]1c2c(c(CC(C(=O)OCC)NC(CCC(=O)NOCc3ccccc3)=O)c1CCN(C)C)cccc2
SPLASH splash10-0udi-0090010000-e4e1c802b07d3aa1c983
Source of Spectrum H1-51-1084-11
Wiley ID 817146