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3-(1H-Indol-3-yl)-2-(toluene-4-sulfonylamino)-propionic acid
SpectraBase Compound ID 4r8RTtMQZVF
InChI InChI=1S/C18H18N2O4S/c1-12-6-8-14(9-7-12)25(23,24)20-17(18(21)22)10-13-11-19-16-5-3-2-4-15(13)16/h2-9,11,17,19-20H,10H2,1H3,(H,21,22)
InChIKey LFRLEBFHLCJPDU-UHFFFAOYSA-N
Mol Weight 358.41 g/mol
Molecular Formula C18H18N2O4S
Exact Mass 358.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BNXRnSSxFcV
Name 3-(1H-Indol-3-yl)-2-(toluene-4-sulfonylamino)-propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O4S
InChI InChI=1S/C18H18N2O4S/c1-12-6-8-14(9-7-12)25(23,24)20-17(18(21)22)10-13-11-19-16-5-3-2-4-15(13)16/h2-9,11,17,19-20H,10H2,1H3,(H,21,22)
InChIKey LFRLEBFHLCJPDU-UHFFFAOYSA-N
Molecular Weight 358.412 g/mol
SMILES [nH]1cc(CC(C(O)=O)NS(=O)(=O)c2ccc(cc2)C)c2ccccc12
SPLASH splash10-001i-1900000000-53cf3e75d049f1fbfcfb
Synonyms 3-(1H-indol-3-yl)-2-(p-tolylsulfonylamino)propanoic acid 3-(1H-indol-3-yl)-2-(tosylamino)propionic acid 3-(1H-indol-3-yl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid N-[(4-Methylphenyl)sulfonyl]tryptophan
Wiley ID 1481932