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N-(Methoxycarbonyl)-6-(2'-nitrobenzyloxy)tryptophan methyl ester
SpectraBase Compound ID LjOmKf2Sc4x
InChI InChI=1S/C21H21N3O7/c1-29-20(25)18(23-21(26)30-2)9-14-11-22-17-10-15(7-8-16(14)17)31-12-13-5-3-4-6-19(13)24(27)28/h3-8,10-11,18,22H,9,12H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKey NUZAUNGDGKVLOI-SFHVURJKSA-N
Mol Weight 427.41 g/mol
Molecular Formula C21H21N3O7
Exact Mass 427.13795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2mVuGQOLpYw
Name N-(Methoxycarbonyl)-6-(2'-nitrobenzyloxy)tryptophan methyl ester
Alternate Name(s) Methyl (2S)-2-[(methoxycarbonyl)amino]-3-{6-[(2-nitrobenzyl)oxy]-1H-indol-3-yl}propanoate
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Formula C21H21N3O7
InChI InChI=1S/C21H21N3O7/c1-29-20(25)18(23-21(26)30-2)9-14-11-22-17-10-15(7-8-16(14)17)31-12-13-5-3-4-6-19(13)24(27)28/h3-8,10-11,18,22H,9,12H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKey NUZAUNGDGKVLOI-SFHVURJKSA-N
Molecular Weight 427.413 g/mol
SMILES [nH]1cc(C[C@](NC(=O)OC)(C(=O)OC)[H])c2ccc(cc12)OCc1c(N(=O)=O)cccc1
SPLASH splash10-000t-2961000000-b1ddd271928d18be2a14
Source of Spectrum H-79-165-25
Wiley ID 1380355