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tryptophan, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
SpectraBase Compound ID 5Hp4UrkpPph
InChI InChI=1S/C21H24N2O4S/c1-21(2,3)15-8-10-16(11-9-15)28(26,27)23-19(20(24)25)12-14-13-22-18-7-5-4-6-17(14)18/h4-11,13,19,22-23H,12H2,1-3H3,(H,24,25)
InChIKey OFXQTTQOWIQPTN-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H24N2O4S
Exact Mass 400.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOLUXYzyMvl
Name 2-[(4-tert-butylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
Alternate Name(s) 2-[(4-tert-butylphenyl)sulfonylamino]-3-(1H-indol-3-yl)propionic acid N-[(4-tert-butylphenyl)sulfonyl]tryptophan
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Formula C21H24N2O4S
InChI InChI=1S/C21H24N2O4S/c1-21(2,3)15-8-10-16(11-9-15)28(26,27)23-19(20(24)25)12-14-13-22-18-7-5-4-6-17(14)18/h4-11,13,19,22-23H,12H2,1-3H3,(H,24,25)
InChIKey OFXQTTQOWIQPTN-UHFFFAOYSA-N
Molecular Weight 400.493 g/mol
SMILES N(S(c1ccc(C(C)(C)C)cc1)(=O)=O)C(Cc1c[nH]c2c1cccc2)C(=O)O
SPLASH splash10-001i-6900000000-2023c35d03540f915403
Wiley ID 1443107