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(2S)-2-(tert-butoxycarbonylamino)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propionic acid methyl ester
SpectraBase Compound ID IR4aExDZP6T
InChI InChI=1S/C22H30N2O4/c1-14(2)10-11-15-8-7-9-17-19(15)16(13-23-17)12-18(20(25)27-6)24-21(26)28-22(3,4)5/h7-10,13,18,23H,11-12H2,1-6H3,(H,24,26)/t18-/m0/s1
InChIKey YVQOGAFAJMQYBP-SFHVURJKSA-N
Mol Weight 386.49 g/mol
Molecular Formula C22H30N2O4
Exact Mass 386.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FMIgrq6fPkc
Name (2S)-2-(tert-butoxycarbonylamino)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propionic acid methyl ester
Alternate Name(s) (2S)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester methyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoate methyl (2S)-3-[4-(3-methylbut-2-enyl)-1H-indol-3-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Comments Less than 3 mono-isotopic peaks
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Formula C22H30N2O4
InChI InChI=1S/C22H30N2O4/c1-14(2)10-11-15-8-7-9-17-19(15)16(13-23-17)12-18(20(25)27-6)24-21(26)28-22(3,4)5/h7-10,13,18,23H,11-12H2,1-6H3,(H,24,26)/t18-/m0/s1
InChIKey YVQOGAFAJMQYBP-SFHVURJKSA-N
Molecular Weight 386.492 g/mol
SMILES [nH]1c2c(c(C[C@](NC(OC(C)(C)C)=O)(C(=O)OC)[H])c1)c(ccc2)CC=C(C)C
SPLASH splash10-0002-0900000000-bdd53f35b9033609ec9c
Source of Spectrum SO-0-215-8
Wiley ID 877257