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(2S)-3-(1H-indol-3-yl)-2-[[2-methyl-1-(methylcarbamoyl)propyl]amino]propionic acid methyl ester
SpectraBase Compound ID 9GaIvrEN5DS
InChI InChI=1S/C18H25N3O3/c1-11(2)16(17(22)19-3)21-15(18(23)24-4)9-12-10-20-14-8-6-5-7-13(12)14/h5-8,10-11,15-16,20-21H,9H2,1-4H3,(H,19,22)/t15-,16?/m0/s1
InChIKey QSMZBJYIJROLFF-VYRBHSGPSA-N
Mol Weight 331.42 g/mol
Molecular Formula C18H25N3O3
Exact Mass 331.189592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F1zV3AnbNtw
Name (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-1-(methylcarbamoyl)propyl]amino]propionic acid methyl ester
Alternate Name(s) (2S)-3-(1H-indol-3-yl)-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]propanoic acid methyl ester Methyl (2S)-3-(1H-indol-3-yl)-2-[[2-methyl-1-(methylcarbamoyl)propyl]amino]propanoate Methyl (2S)-3-(1H-indol-3-yl)-2-[[3-methyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]amino]propanoate Methyl (2S)-3-(1H-indol-3-yl)-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]propanoate
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Formula C18H25N3O3
InChI InChI=1S/C18H25N3O3/c1-11(2)16(17(22)19-3)21-15(18(23)24-4)9-12-10-20-14-8-6-5-7-13(12)14/h5-8,10-11,15-16,20-21H,9H2,1-4H3,(H,19,22)/t15-,16?/m0/s1
InChIKey QSMZBJYIJROLFF-VYRBHSGPSA-N
Molecular Weight 331.416 g/mol
SMILES [nH]1c2c(c(C[C@](NC(C(=O)NC)C(C)C)(C(=O)OC)[H])c1)cccc2
SPLASH splash10-00e9-6940000000-05741c82fc901529fac1
Source of Spectrum F-52-11662-10
Wiley ID 798724