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(2S)-2-amino-3-[4-(tert-butoxycarbonylamino)-1H-indol-3-yl]propionic acid
SpectraBase Compound ID 4NrkpC25x2s
InChI InChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)19-12-6-4-5-11-13(12)9(8-18-11)7-10(17)14(20)21/h4-6,8,10,18H,7,17H2,1-3H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKey XAYCCUUYFLCDIZ-JTQLQIEISA-N
Mol Weight 319.36 g/mol
Molecular Formula C16H21N3O4
Exact Mass 319.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9u5mWw5FJ0q
Name (2S)-2-amino-3-[4-(tert-butoxycarbonylamino)-1H-indol-3-yl]propionic acid
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Formula C16H21N3O4
InChI InChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)19-12-6-4-5-11-13(12)9(8-18-11)7-10(17)14(20)21/h4-6,8,10,18H,7,17H2,1-3H3,(H,19,22)(H,20,21)/t10-/m0/s1
InChIKey XAYCCUUYFLCDIZ-JTQLQIEISA-N
Molecular Weight 319.361 g/mol
SMILES N(C(OC(C)(C)C)=O)c1c2c(C[C@@](C(=O)O)(N)[H])c[nH]c2ccc1
SPLASH splash10-000f-9700000000-0b4aba67b81b8b024097
Source of Spectrum QE-6-3953-13
Synonyms (2S)-2-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-3-yl]propanoic acid (2S)-2-amino-3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1H-indol-3-yl]propanoic acid (2S)-2-azanyl-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indol-3-yl]propanoic acid
Wiley ID 845217