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(Z)-N-Acetyl-4-methyl-1-tosyldehydrotryptophan Methyl ester
SpectraBase Compound ID JYyhjTiUEzL
InChI InChI=1S/C22H22N2O5S/c1-14-8-10-18(11-9-14)30(27,28)24-13-17(21-15(2)6-5-7-20(21)24)12-19(22(26)29-4)23-16(3)25/h5-13H,1-4H3,(H,23,25)/b19-12-
InChIKey NCJQVVDXGOUDKY-UNOMPAQXSA-N
Mol Weight 426.49 g/mol
Molecular Formula C22H22N2O5S
Exact Mass 426.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3pX8orNSM1W
Name (Z)-N-Acetyl-4-methyl-1-tosyldehydrotryptophan Methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C22H22N2O5S
InChI InChI=1S/C22H22N2O5S/c1-14-8-10-18(11-9-14)30(27,28)24-13-17(21-15(2)6-5-7-20(21)24)12-19(22(26)29-4)23-16(3)25/h5-13H,1-4H3,(H,23,25)/b19-12-
InChIKey NCJQVVDXGOUDKY-UNOMPAQXSA-N
Molecular Weight 426.487 g/mol
SMILES N(\C(=C/c1c[n](S(c2ccc(cc2)C)(=O)=O)c2c1c(C)ccc2)C(=O)OC)C(=O)C
SPLASH splash10-004i-0090500000-3e2d6aeacc65babb3397
Source of Spectrum E1-42-836-9
Synonyms (Z)-2-acetamido-3-[4-methyl-1-(4-methylphenyl)sulfonyl-3-indolyl]-2-propenoic acid methyl ester methyl (Z)-2-acetamido-3-[4-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]prop-2-enoate methyl (Z)-2-acetamido-3-[4-methyl-1-(p-tolylsulfonyl)indol-3-yl]prop-2-enoate methyl (Z)-2-acetamido-3-[4-methyl-1-(4-methylphenyl)sulfonyl-indol-3-yl]prop-2-enoate
Wiley ID 1552511