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3-[4-(tert-butoxycarbonylamino)-1H-indol-3-yl]-2-[(2-phenylacetyl)amino]propanoic acid
SpectraBase Compound ID 7qtiNRKDgE9
InChI InChI=1S/C24H27N3O5/c1-24(2,3)32-23(31)27-18-11-7-10-17-21(18)16(14-25-17)13-19(22(29)30)26-20(28)12-15-8-5-4-6-9-15/h4-11,14,19,25H,12-13H2,1-3H3,(H,26,28)(H,27,31)(H,29,30)
InChIKey HLZSQMBGFNKSHJ-UHFFFAOYSA-N
Mol Weight 437.5 g/mol
Molecular Formula C24H27N3O5
Exact Mass 437.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5C8BJdtTTPO
Name 3-[4-(tert-butoxycarbonylamino)-1H-indol-3-yl]-2-[(2-phenylacetyl)amino]propanoic acid
Alternate Name(s) 3-[4-(tert-butoxycarbonylamino)-1H-indol-3-yl]-2-[(2-phenylacetyl)amino]propionic acid 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-3-yl]-2-(2-phenylethanoylamino)propanoic acid 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-3-yl]-2-[(2-phenylacetyl)amino]propanoic acid 3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1H-indol-3-yl]-2-[(1-oxo-2-phenylethyl)amino]propanoic acid
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Formula C24H27N3O5
InChI InChI=1S/C24H27N3O5/c1-24(2,3)32-23(31)27-18-11-7-10-17-21(18)16(14-25-17)13-19(22(29)30)26-20(28)12-15-8-5-4-6-9-15/h4-11,14,19,25H,12-13H2,1-3H3,(H,26,28)(H,27,31)(H,29,30)
InChIKey HLZSQMBGFNKSHJ-UHFFFAOYSA-N
Molecular Weight 437.496 g/mol
SMILES N(C(OC(C)(C)C)=O)c1c2c(CC(C(=O)O)NC(=O)Cc3ccccc3)c[nH]c2ccc1
SPLASH splash10-000j-1915200000-00c887630aa37dce24d8
Source of Spectrum QE-6-3952-12
Wiley ID 845218